# data[].attributes.body
Assigned Drug: Levothyroxine

Structure: (image attached)

Functional Groups: Phenolic –OH group (Ar-OH), halide (-I), ether (Ar-O-Ar), primary amine (-NH2) carboxylic acid (-COOH)

Heterocycles: ? (i will come back and edit)

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Assigned Drug: monetlukast

Structure: image attached

Functional groups: tertiary alcohol, carboxylicic acid, benzene, thioester, halogen

Heterocycles: quinoline

Indication: allergic rhinitis, persistent asthma, exercise induced bronchoconstriction

Target: CysLT Type 1 Receptor

MOA: Selective leukotriene receptor antagonist that inhibits cysteinyl leukotriene receptor. Prevents airway edema and smooth muscle contraction

Role: Antagonist

Common side effects include: Gastrointestinal (abdominal pain, diarrhea), Neurologic (headache), Otic (otitis, otitis media), Respiratory (cough, nasal discharge, pharyngitis, sinusitis, upper respiratory infection), Other (fever, influenza)

Serious Side Effects: Cardiovascular (eosinophilic granulomatosis with polyangitis), Neurologic (disoriented, disturbance of attention, insomnia, memory impairment, stuttering, tic, tremor) Psychiatric (aggressive behavior, agitation, anxiety, depression, hallucinations, irritability, nightmares, Obsessive-compulsive disorder, restlessness, sleep walking disorder, suicidal behavior, suicidal thoughts)

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Assigned Drug:Lovastatin
Structure: ^
Functional Groups: two ester functionalities with one being a lactone, a pair of conjugated carbon-carbon double bonds, and a hydroxyl group.
Heterocytes:....
Mechanism of Action: Lovastatin is metabolized into its active form beta-hydroxy acid in the stomach and functions to competitively inhibit 3-hydroxy-3-methylglutaryl-coenzyme A (HMG-CoA) reductase

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Assigned drug - Propranolol

Structure - image attached

Functional groups - alkane, ether, naphthalene, secondary alcohol, secondary amine

Heterocycles - none

Indication - hypertension, tremors, ventricular arrhythmia, angina, myocardial infarction, migraine, etc.

Targets - nonselective beta-adrenergic blocker (class II antiarrhythmic)

MOA - competitively blocks response to beta₁- and beta₂-adrenergic stimulation which results in decreases in heart rate, myocardial contractility, blood pressure, and myocardial oxygen demand. Nonselective beta-adrenergic blockers reduce portal pressure by producing splanchnic vasoconstriction thereby reducing portal blood flow.

Antagonist

Side effects - Feeling dizzy, sleepy, tired, or weak, upset stomach or throwing up, stomach pain or cramps, diarrhea or constipation, trouble sleeping, strange or odd dreams

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Assigned Drug - Esomeprazole

Functional Groups - ether, amines

Heterocysts - imidazole

Indication - acid-reflux disorders

Targets - parietal cells of stomach H+/K+ ATPase pumps

MOA - irreversible binds to proton pumps inhibiting release of HCl into the stomach and altering stomach pH

Side Effects - headache, diarrhea, stomach pain, dizzy, sleepy, or cause blurred vision

# data[].attributes.body
Assigned drug: clonidine

Structure: image attached

Functional groups: secondary amine, halogenated benzene ring

Heterocycles: imidazoline

Indication: antihypertensive

Target: Alpha 2-adrenergic

Mechanism of Action: alpha2-adrenergic antagonist effect in the posterior hypothalamus and medulla

Role: Antagonist

Side Effects:

Dry mouth.

•Constipation.

•Feeling dizzy, sleepy, tired, or weak.

•Headache.

•Upset stomach.

Extended-release tablets:

•Trouble sleeping.

•Bad dreams.

•Decreased appetite.

•Stomach pain.

•Feeling irritable.

Skin patch:

•Skin irritation.

Epidural:

•Sweating a lot.

•Throwing up.

•Ringing in ears.

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Assigned Drug: Hydroxyzine

Structure: Image Attached

Functional Groups: nitrogen atoms substituted by 2-(2-hydroxyethoxy) ethyl and (4-chlorophenyl)(phenyl) methyl groups

Heterocycles: Heterocyclic Compounds - 1 ring , Piperazine (N-alkylpiperazine)

Indication(s): Symptomatic relief of anxiety and tension associated with psychoneuroses, and as an adjunct in organic disease states in which anxiety is manifested. Also, it's indicated in treatment of histamine-mediated pruritus and pruritis due to allergic conditions such as chronic urticaria.

Target(s): Targets anxiety without serotonin reuptake inhibition and without effect of GABA.

Mechanism of action(s): The H1 histamine receptor is responsible for mediating hypersensitivity and allergic reactions. It's an inverse agonist so rather than blocking activity at a receptor, they actively dampen its activity. (responsible for allergic symptoms such as pruritus, rhinorrhea, and watery eyes)

Role of drug w/ target: The target in Hydroxyzine is an inverse agonist, so Hydroxyzine's role is to help control anxiety and tension caused by nervous and emotional conditions. Also, it produces sleep before surgery and relieves symptoms of allergic conditions.

Dermatoses: Any skin defect or lesion on the skin (systemic) - may include psoriasis. Hydroxyzine stops itching in Dermatoses by blocking the action of histamine which is a substance that causes allergic symptoms in the whole body.

Side Effects of Drug: Irregular or slow heart rate, hives, itching, or skin rash, fast heartbeat, difficulty swallowing, chest pain, discomfort, or tightness, puffiness or swelling of the eyelids or around the eyes, face, lips, or tongue, trouble breathing, etc.

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Assigned Drug: Valganciclovir

Structure: Image attached above

Functional Groups: Ether, Primary Alcohol, & Carbamate

Heterocycle: Purine

Indication: Cytomegalovirus

Target: DNA

MOA: Valganciclovir is rapidly converted to ganciclovir in the body. Ganciclovir is phosphorylated to a substrate which competitively inhibits the binding of deoxyguanosine triphosphate to DNA polymerase resulting in inhibition of viral DNA synthesis.

Interaction With Target: Enzyme inhibitor–inhibits the binding of deoxyguanosine triphosphate to DNA polymerase resulting in inhibition of viral DNA synthesis.

Side effects:

Hypertension

Headache

Insomnia

Diarrhea

Nausea

Vomiting

abdominal pain

Anemia

Thrombocytopenia

Neutropenia

Graft rejection

Tremor

Retinal detachment

Increased serum creatinine

Fever

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Assigned drug: Tiotropium

Structure: image attached

Functional groups: Alcohols, Quaternary ammonium cations, Esters, and Sulfur Containing Compounds

Heterocycles: Epoxide, 2 Thiophenes

Indication: COPD (chronic obstructive pulmonary disease) and Asthma

Targets: works by blocking the muscarinic receptors for the neurotransmitter acetylcholine (Ach); Anticholinergic Agent; Anticholinergic Agent, Long-acting

Mechanism of Action: Tiotropium competitively and reversibly inhibits the action of acetylcholine (ACh) at type 3 muscarinic (M₃) receptors in bronchial smooth muscle causing bronchodilation

Role: Tiotropium is a competitive muscarinic receptor antagonist. It is a anticholinergic agent that is long-acting.

Side effects: Gastrointestinal - constipation, xerostomia; Neurologic - headache; Renal - UTI disease; Respiratory - bronchitis, cough, pharyngitis, sinusitis, upper respiratory infection. These are the more common side effects. The more serious side effects include: Gastrointestinal - bowel obstruction; Immunologic - hypersensitivity reaction (immediate); Ophthalmic - angle-closure glaucoma; Renal - urinary retention; Respiratory - paradoxical bronchospasm.

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Assigned Drug: Fenofibrate

Structure: image attached

Functional Groups: halogenated hydrocarbon ring, ketone, alkyl benzene ring, ether, ester, alkane

Heterocycles: None

Indication: Adults with primary hypercholesterolemia, mixed dyslipidemia, and severe hypertriglyceridemia

Targets: reduce elevated low-density lipoprotein cholesterol (LDL-C), total cholesterol (total-c), Triglycerides (TG) and apolopoprotein B (Apo B), and to increase high-density lipoprotein cholesterol (HDL-C)

Mechanism of Action:  activates peroxisome proliferator activated receptor alpha (PPARα), increasing lipolysis, activating lipoprotein lipase, and reducing apoprotein C-III. PPARα is a nuclear receptor and its activation alters lipid, glucose, and amino acid homeostasis. Activation of PPARα activates transcription of gene transcription and translation that generates peroxisomes filled with hydrogen peroxide, reactive oxygen species, and hydroxyl radicals that also participate in lipolysis. This mechanism of increased lipid metabolism is also associated with increased oxidative stress on the liver. In rare cases this stress can lead to cirrhosis and chronic active hepatitis.

Common Side Effects:

stomach pain,

back pain,

headache, or

runny or stuffy nose

stomach pain

Less Common Side Effects:

gallstones and

liver problems

Serious but Unlikely Side Effects

severe stomach/abdominal pain,

persistent nausea/vomiting,

yellowing eyes or skin (jaundice),

dark urine,

unusual muscle pain,

tenderness, or

weakness especially if accompanied by fever or flu-like symptoms

# data[].attributes.body
Assigned Drug: amlodipine

Structure: image attached

Functional group: halogenated hydrocarbon,  amine, ester, ether

Heterocycles: pyridine

Indication: angina, hypertension

Target: calcium ion inhibitor

MOA: Inhibits calcium ion from entering the slow channels or select voltage-sensitive areas of vascular smooth muscle and myocardium during depolarization, producing a relaxation of coronary vascular smooth muscle and coronary vasodilation

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Assigned Drug: Diazepam

Structure: Image Attached

Functional Groups: Halogen (-Cl), Benzene, Amide, Methyl
Heterocycles: Benzodiazepine

Indication: Anxiety, seizures, substance withdrawal, muscle spasms

Target: GABA(A) receptor

Mechanism of Action: GABA is an inhibitory transmitter. By binding to the GABA(A) receptors, diazepam increases the inhibitory effects of GABA, leading to increased permeability of chloride ions and hyperpolarization. This leads to sedation, muscle relaxation, and anti-seizure activity.

Role of target: Positive allosteric modulator

Minor side effects: Drowsiness, muscle weakness
Serious side effects: Shortness of breath/troubled breathing, confusion, hallucinations, memory loss, passing out, change in eyesight, slurred speech, loss of appetite that does not go away, increased risk of suicidal thoughts.

Sources: Lexicomp, MicroMedex, and DrugBank

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- Assigned Drug: Topiramate

- Structure: image attached

- Function groups: Ethers & Oxides,Sulfur Containing Compounds

- Heterocycles: None

- Indication: Migraine, prevention: Prophylaxis of migraine headache in patients ≥12 years of age and Seizures: Monotherapy or adjunctive therapy in patients ≥2 years of age (immediate release and Qudexy XR) or ≥6 years of age (Trokendi XR) with focal (partial) onset or primary generalized tonic-clonic seizures; adjunctive therapy in patients ≥2 years of age (immediate release and Qudexy XR) or ≥6 years of age (Trokendi XR only) with seizures associated with Lennox-Gastaut syndrome

- Targets: voltage-dependent sodium channels, GABA receptors, and glutamate receptors

- Mechanism of Action: Antiseizure activity may be due to a combination of potential mechanisms: Blocks neuronal voltage-dependent sodium channels, enhances GABA(A) activity, antagonizes AMPA/kainate glutamate receptors, and weakly inhibits carbonic anhydrase.

- Side Effects: upset stomach, throwing up, constipation, weight loss, change in taste, diarrhea, stomach pain, anxiety, feeling sleepy/tired/weak, common cold symptoms, joint pain, headache, and flushing

# data[].attributes.body
Assigned drug: levetiracetam

Structure image attached

Functional groups: amide

Heterocycles: phenol, piperidin, indazole

Indication: for the treatment of partial-onset seizures (antiepileptic)

Target: possibly Calcium channel (inhibitor), GABA (inhibitor)

Mode of action:
(unknown)
It is suggested that the mechanism may involve one or more of the following central pharmacologic effects: inhibition of voltage-dependent N-type calcium channels; facilitation of GABA-ergic inhibitory transmission through displacement of negative modulators; reduction of delayed rectifier potassium current; and/or binding to synaptic proteins which modulate neurotransmitter release.

Side Effects:
(significant):
1. CNS Depression
2. Hypersensitivity Reactions (delayed)
3. Psychiatric and Behavioral Abnormalities

(common)
1. increased blood pressure
2. vomiting
3. infection
4. Asthenia (neuromuscular/skeletal)
5. Nasopharyngitis
6. behavioral problems, drowsiness, fatigue

sources:
1. DailyMed. accessed 9-29-22. https://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=c508a392-0603-477d-8a45-3ec550371111
2. Lexicomp. accessed 9-29-22. https://online.lexi.com/lco/action/doc/retrieve/docid/patch_f/7162?cesid=0aE98vSuI5Z&searchUrl=%2Flco%2Faction%2Fsearch%3Fq%3DlevETIRAcetam%26t%3Dname%26acs%3Dtrue%26acq%3Dlevetir#

# data[].attributes.body
Assigned Drug: Enalapril
Structure: above
Functional Groups: carboxylic acid, phenyl, ester, amide, secondary amine
Heterocycle: Pyrrolidine
Indication(s): high blood pressure, diabetic kidney disease, and heart failure
Target: angiotensin-converting enzyme
Mechanism of Action: Competitive inhibitor of angiotensin-converting enzyme (ACE), prevents conversion of angiotensin I to angiotensin II, increases plasma renin activity and reduces aldosterone secretion
Role: ACE inhibitor
Side effects: Blurred vision, confusion, dizziness, sweating, tiredness, nausea, diarrhea, dry mouth

# data[].attributes.body
Assigned Drug: Oseltamivir

Structure: (Image Attached)

Functional Groups: Alkene, Ether, Ester, Amide, Amine

Heterocycles: pyrazole, indole, imidazole, thiazole, pyridine, quinaxoline

Indication: Seasonal Influenza

Target: It inhibits the influenza virus neuraminidase.

MoA: It is a prodrug that is hydrolyzed to its active form. It then acts as an neuraminidase inhibitor. It prevents the influenza virus from cleaving its viral progeny from its cellular envelope.

Role: Neuraminidase Enzyme Inhibitor

Side Effects: Diarrhea, Nausea, Vomiting, Headache, Confusion, Behavioral Changes, Trouble Speaking, Tremors, Seizures, Sensing things that are not there, and Stevens-Johnson Syndrome

Sources:
https://online.lexi.com/lco/action/doc/retrieve/docid/patch_f/7405?cesid=8hqeiIJa3L4&searchUrl=%2Flco%2Faction%2Fsearch%3Fq%3Doseltamivir%26t%3Dname%26acs%3Dfalse%26acq%3Doseltamivir

# data[].attributes.body
Assigned Drug: Spironolactone
Structure: attached image
Functional Groups: Ketone, Ester functionality that is the lactone heterocycle, Carbon double bonds, Ketone attatched to cyclic structure, Methyl
Heterocycles: Lactone

# data[].attributes.body
Assigned Drug: Oxycodone
Structure: Image
Functional Groups: Aromatic Ether, alcohol, Keto, Cyclohexane
Heterocycles: Tetrahydrofuran, Piperidine
Indication: Pain Management
Target: opiate receptors
Mechanism of Action: It binds to opiate receptors in the CNS, which inhibits the ascending pain pathways, this alters the perception and response to pain. It depresses the CNs.
Side effects: Allergic reaction signs, very dizzy or passing out, feeling confused, severe constipation or stomach pain, trouble breathing, slow breathing, shallow breathing, noisy breathing, sleep apnea, trouble passing urine, fast, slow, or abnormal heartbeat, seizures, shakiness, change in eyesight, chest pain or pressure, hallucinations, mood changes, memory problems or loss, trouble walking, trouble speaking, swelling in the arms or legs, fever, sleepy, tired, weak, headache, trouble sleeping, itching, dry mouth, diarrhea, upset stomach, throwing up, or decreased appetite. (listed from Lexicomp)

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Assigned Drug: Pregabalin

Structure: image attached above

Functional groups: Carboxylic acid, Primary amine

Heterocycles: None

Indication:
-Fibromyalgia
-Neuropathy associated with diabetes
-Postherpetic Neuralgia
-Seizures

Target:
-Alpha-2-delta subunit of voltage-gated calcium channels

MOA:
Binds to alpha-2-delta subunit of voltage-gated calcium channels in the central nervous system and regulates calcium influx. This results in the inhibition excitatory neurotransmitter release.

Role of drug: Antagonist of voltage gated Ca2+ channels

Indication:

-Fibromyalgia

-Neuralgia

-Seizures

Side Effects:

-CNS depression

-Respiratory depression

-Delayed hypersensitivity reactions

-Peripheral edema

-Suicidal ideation

-Visual disturbances

-Weight gain

# data[].attributes.body
-Assigned Drug: Loratadine

-Functional Groups: tert-Amine, ester

-Heterocysts: Pyridine

-Indication: children's Claritin, temporarily relieve hay fever and allergies

-Targets: H1-receptors, specifically in the periphery

-MOA: Long-acting tricyclic antihistamine with selective peripheral histamine H1-receptor antagonistic properties

# data[].attributes.body
Assigned Drug:  Docusate

Structure: Image attached

Functional Group: Esters and Sulfones

Heterocycles: None

Indication=the treatment of constipation associated with dry, hard stools or opioid induced constipation

Targets: Feces and stools, mostly in the small intestine

Mechanism of action: Anionic Surfactant, It lowers the surface tension at the oil-water interface of the feces, allowing water and lipids to penetrate the stool. This helps to hydrate and soften the fecal material, facilitating elimination of feces.

Role: Unknown (Stool Softener)

Common Side Effects: Abdominal Cramps, Nausea, Diarrhea, bitter taste

Serious Side effects: Rectal Irritation, Signs of allergic reaction (rashes, itching, blistered, etc.)

# data[].attributes.body
Assigned Drug: Lisinopril

Structure: Image Attached

Functional Groups: Secondary Amine, Carboxylic Acid, Benzene, Tertiary Amine, Primary Amine

Heterocycles: Pyrrolidine

Indication: Acute Myocardial Infarction, Hypertension, Adjunct Therapy for Heart Failure

Targets: Angiotensin-Converting Enzyme & Renin

MOA: An angiotensin converting enzyme inhibitor (ACEI), preventing the conversion of angiotensin I to angiotensin II. This action prevents myocyte hypertrophy and vascular smooth muscle cell proliferation seen in untreated patients.

Interaction with Target: Enzyme Inhibitor

Indication of Drug: The treatment of acute myocardial infarction, hypertension in patients > 6 years, and as an adjunct therapy for heart failure

Side Effects: Dry Cough, Dizziness, Headaches, Vomiting, Diarrhea, Itching, Blurred Vision

# data[].attributes.body
Assigned Drug: Trazodone

Structure: Attached

Functional Groups: urea, halogenated benzene ring

Heterocycles: piperazine, triazole

Indication: Treatment of Unipolar Major Depressive Disorder

Targets: 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 2C, Sodium-dependent serotonin transporter, 5-hydroxytryptamine receptor 1A, Histamine H1 receptor

MOA: Inhibits reuptake of serotonin, causes adrenoreceptor subsensitivity, acts as a 5HT2a receptor antagonist and induces significant changes in 5-HT presynaptic receptor adrenoreceptors. Trazodone also significantly blocks histamine (H₁) and alpha1-adrenergic receptors.

Role of Drug in Interaction with the Target: Serotonin Reuptake Inhibitor/Antagonist

Side Effects: Nausea and vomiting, xerostomia, dizziness, drowsiness, fatigue, headache, nervousness, blurred vision

# data[].attributes.body
1. Paroxetine
2. Ether, fluorophenyl
3. Piperidine, benzodioxole
4. Indication- generalized anxiety disorder, major depressive disorder, obsessive compulsive disorder, panic disorder, PTSD, premenstrual dysphoric disorder, social anxiety disorder, vasomotor symptoms of menopause
5. Targets- Synaptic Serotonin Reuptake Transporter, inhibits CYP2D6
6. MOA- SSRI, inhibition of serotonin reuptake from the brain causes a synapse stimulated serotonin activity in the brain
7. Enzyme inhibitor- Selective serotonin reuptake inhibitor
8. Indications- body dysmorphic oder, generalized anxiety order, major depressive disorder, obsessive compulsive disorder, panic disorder, post traumatic stress disorder, premature 🤬, premenstrual dysphoric disorder, social anxiety disorder, vasomotor symptoms of menopause
8. Side effects: activation of mania or hypomania, bleeding risk, fragility fractures, hypotranemia, ocular effects, serotonin syndrome, sexual dysfunction, suicidal thinking and behavior, withdrawal syndrome

# data[].attributes.body
Drug: finasteride

Functional Groups: 2 amides and a cyclic cis double bond.

Heterocycles: none

Indication:
Androgenetic alopecia (male pattern hair loss), Benign prostatic hyperplasia --> reduce the risk of acute urinary retention and reduce the risk of the need for BPH-related surgery; used in combination with an alpha-1 adrenergic antagonist to reduce the risk of symptomatic progression.

Target: steroid-5-alpha-reductase

Mechanism of Action:
Finasteride competitively inhibits steroid-5-alpha-reductase, resulting in inhibition of the conversion of testosterone to dihydrotestosterone and markedly suppresses serum dihydrotestosterone levels

Side Effects:
Finasteride may cause sexual dysfunction, including impotence, decreased libido, ejaculatory disorder, and sexual disorder, which may persist after discontinuation. Of note, it has been hypothesized that persistent sexual dysfunction may contribute to psychological adverse reactions (eg, anxiety and depression) and suicidal ideation and suicidal tendencies in younger patients treated for alopecia.
The following adverse drug reactions and incidences are derived from product labeling unless otherwise specified.

>10%: Genitourinary: Impotence (5% to 19%)

1% to 10%:

Cardiovascular: Hypotension (1%), orthostatic hypotension (9%), peripheral edema (1%)

Endocrine & metabolic: Decreased libido (2% to 10%), gynecomastia (1% to 2%)

Genitourinary: Breast tenderness (≤1%), decreased 🤬 volume (2% to 4%), ejaculatory disorder (≤7%), prostate cancer - high grade (2%), sexual disorder (3%)

Source: Lexicomp https://online.lexi.com/lco/action/doc/retrieve/docid/patch_f/6913?cesid=0aUYqwO57tF&searchUrl=%2Flco%2Faction%2Fsearch%3Fq%3Dfinasteride%26t%3Dname%26acs%3Dtrue%26acq%3Dfin#

# data[].attributes.body
Assigned Drug: Simvastatin

Structure: image attached

Functional Groups: ester group, alcohol, methyl groups, propane, alkenes

Heterocycles: delta-lactone

Indication: hypercholesterolemia

Target: HMG-CoA reductase

Role: Competitive Antagonist

Mechanism of Action: competitively inhibits 3-hydroxy-3-methylglutaryl-coenzyme A (HMG-CoA) reductase (which catalyzes the rate limiting step in cholesterol biosynthesis). This decreases level of high sensitivity C-reactive protein (hsCRP) and improves endothelial function, reduces inflammation at the site of coronary plaque, inhibits platelet aggregation and has anticoagulant effects.

Side Effects:
-hepatotoxicity
-muscle effects: myalgia, myopathy, rhabdomyolysis, immune-mediated necrotizing myopathy
-cardiovascular: atrial fibrillation, edema
-dermatologic: eczema
-gastrointestinal: abdominal pain, constipation, gastritis, nausea
-nervous system: headache, vertigo

# data[].attributes.body
Assigned drug: Alprazolam

Structure: image above

Functional groups: phenyl, methyl, chloro substituent, secondary amines

Heterocycles: triazole

Indication: generalized anxiety disorder, panic disorder

Target: GABA(A) receptor

Role: positive allosteric modulator

MOA: Alprazolam is a benzodiazepine that exerts its effect for the acute treatment of generalized anxiety disorder and panic disorder through binding to the benzodiazepine site of gamma-aminobutyric acid-A (GABAA) receptors in the brain and enhancing GABA-mediated synaptic inhibition.

Side effects: impaired or abnormal coordination, hypotension, dysarthria, increased or decreased libido, somnolence, memory impairment, ataxia, constipation, and nausea

# data[].attributes.body
Assigned Drug: Losartan

Structure: Image Attached

Functional Groups: primary alcohol, benzene ring, halogenated compound

Heterocycles: imidazole, tetrazole

Indication: Hypertension

Target: Angiotensin II Receptor

MOA: As a selective and competitive, nonpeptide angiotensin II receptor antagonist, losartan blocks the vasoconstrictor and aldosterone-secreting effects of angiotensin II

Side Effects: chest pain, dizzy, diarrhea, low blood sugar, kidney problems, swelling in arms or legs

# data[].attributes.body
-Assigned Drug: Amphetamine

-Functional Groups: one phenyl group and one primary amine

-There are no heterocycles in amphetamine

- Indications: Attention-deficit/hyperactivity disorder and Narcolepsy (immediate-release tablets only)

- Targets: pre-synaptic neurotransmitters that are responsible for releasing catecholamines

-Mechanism of Action: Amphetamines stimulate the release of catecholamines (mainly norepinephrine and dopamine) from pre-synaptic neurons. Amphetamines are able to block the re-uptake of catecholamines by competitive inhibition.

- Interaction with the target: Amphetamines are considered nonselective indirect agonist for adrenergic receptors that increase the overall concentration of extracellular norepinephrine, dopamine, and serotonin.

- Side effects include weight loss, decreased appetite, nausea, abdominal pain, headache, dizziness, insomnia, mood swings, anxiety, agitation, myocardial infarction, sudden cardiac death, cerebrovascular events, and psychotic disorder.

# data[].attributes.body
Assigned Drug: Naproxen

Structure: (See Attached Image)

Functional Groups: Naphthalene, Aromatic Ether, Carboxylic Acid

Heterocycles: None

Indications: Inflammation (primarily for various forms of arthritis), Pain (including dysmenorrhea/menstrual pain)

Drug Targets: Cyclooxygenase-1 and Cyclooxygenase-2 (COX-1 and COX-2)

Mechanism of Action: Naproxen non-selectively inhibits COX-1 and COX-2 proteins which catalyze the creation of prostaglandins from arachidonic acid; this leads to a reduction in inflammatory response.

Drug Role: Enzyme inhibitor

Black Box Warning: Increased risk of serious cardiovascular thrombotic event; Increased risk of GI bleeding

Common Side Effects: Indigestion, Headache, Nausea, Dizziness, Drowsiness, Edema, Itchy skin, Rash, Abdominal pain, Heart burn, Constipation, Difficulty breathing, Ringing in ears

Serious Side Effects: Cardiovascular events (e.g. Stroke and Myocardial infarction), Hepatotoxicity, Kidney injury, Bleeding events (GI ulceration or perforation)

# data[].attributes.body
- Assigned Drug: Latanoprost
- Structure: Pictured
- Functional Groups: Secondary Alcohol, Ester, Benzyl?
- Heterocycles: none!
-Indication: Ocular Hypertension; Open-Angle Glaucoma
-Target: F2-Alpha
-MOA: A prostaglandin F2-alpha analogue that reduces the intraocular pressure by increasing outflow of aqueous humor. The main mechanism is increased uveoscleral outflow.
-Side Effects: Blurred vision, burning sensation in eye, conjunctival hyperemia, foreign body sensation, hyperemia of eye, iris color change, itching of eye, pain in eye, superficial punctate keratitis, influenza, nasopharyngitis, upper respiratory infection, bacterial keratitis, reactivation, cystoid macular edema, herpes simplex keratitis, iridocyclitis, macular retinal edema

# data[].attributes.body
Assigned Drug: Venlafaxine
Functional Groups: tertiary alcohol, ether, tertiary amide, phenyl
Heterocycles: none
Indications for use: Generalized Anxiety Disorder, Major Depressive Disorder, Panic disorder, Social Phobia

Target: Serotonin and Norepinephrine Reuptake

Mechanism of Action: The active metabolite of venlafaxine, O-desmethylvenlafaxine, inhibits serotonin and norepinephrine reuptake
Role: Inhibitor

Side Effects (Common): Hypertension, Sweating, Weight loss, Constipation, Nausea, Dizziness, Headache, Insomnia Somnolence, Tremor, Abnormal 🤬, erectile dysfunction, reduced libido

Side effects (serious): Hyponatremia, Hemorrhage, Hepatitis, Rhabdomyolysis, Seizure, Depression, Exacerbation, Mania, Suicidal thoughts, Interstitial Lung disease, Pulmonary eosinophilia, Neuroleptic malignant syndrome, Serotonin syndrome

# data[].attributes.body
Assigned Drug: Atenolol

Structure: Image Attached

Fuctional groups: One amide, One benzene ring, One ester, One secondary alcohol, One secondary amine

Heterocycles: None

Indications: Angina, Hypertension, Myocardial Infarction

Target: beta-1 adrenergic receptor

MOA: atenolol competitively blocks beta-1 receptors, blocking beta-1 stimulation. Has little to no effect on beta-2 receptors.

Common Side Effects: Bradyarrhythmia, cold extremities, hypotension, dizziness, depression, and fatigue

Serious Effects: Heart failure, myocardial infarction, ventricular arrhythmia, thyrotoxicosis, anaphylaxis, systemic lupus erythematosus, pulmonary embolism, withdrawal symptoms.

# data[].attributes.body
Assigned Drug: Gabapentin

Structure: Image Attached

Functional Groups: Carboxylic acid, Primary Amine

Heterocycles: None

Indications: partial seizures, nerve pain, restless leg syndrome

Targets: inhibits voltage-gated calcium channels

Mechanism of Action: crosses membranes via L amino acid transporters, reduces the release of mono-amine transmitters, inhibits GABA enzymes

Common Side Effects: Peripheral edema, nausea, viral disease, ataxia, nystagmus, fatigue, and fever

Serious Side Effects: Stevens-Johnson syndrome, hypoglycemia, anaphylaxis, drug reaction with eosinophilia and systemic symptoms, dizziness, somnolence, disorder of form of thought, disturbance in thinking, hostile behavior, hyperactive behavior, mood swings, suicidal thoughts, respiratory depression, angioedema

# data[].attributes.body
Functional Group: Ether, Secondary Alcohal, Benzene Ring, Secondary amine.
Heterocycles: Pyrrolidine

The indications for carvedilol is hypertension and heart failure with reduced ejection fraction. The mechanism of action is a nonselective beta-adrenoreceptor and alpha-adrenergic blocking activity. Its target is Beta receptors.

# data[].attributes.body
Assigned drug: Lamotrigine

Structure Image: Image Attached

Functional Groups: amino groups, primary amines,
halogenated benzene ring

Heterocycle: Triazine

Indication: bipolar disorder, focal onset seizures, and generalized seizures

Target: voltage sensitive sodium channels

MOA: triazine inhibits the release of glutamate and inhibits voltage sensitive sodium-channels which stabilizes the neuronal membrane. Lamotrigine has weak inhibitory effect of the 5-HT3 receptor, in vitro inhibits dihydrofolate reductase.

Common Side Effects: rash, abdominal pain, diarrhea, nausea, heart burn, back pain, dizziness, insomnia, somnolence, tremor, blurred vision, dysmenorrhea, rhinitis, pain in throat, fever

Serious Side Effects: Skin rashes (Steven-Johnson Syndrome), Aseptic meningitis, blood dycrasias, hypersensitivity reactions, hemophagocytic lymphohistiocytosis, suicidcal ideation/tendencies, liver failure

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Assigned Drug: Quetiapine

Structure : Image attached above

Functional Groups: Alcohol, Phenol, Amine

Heterocycles: Piperazine

Indication: bipolar disorder (acute treatment of mania) , major depressive disorder, and treatment of schizophrenia

Target: 5- Hydroxytryptamine receptors, Dopamine receptors, Histamine receptors, Monomine transport subfamily (GPCRs)

Mechanism of action:  Although the mechanism of action of quetiapine is not fully understood, several proposed mechanisms could occur. in schizophrenia, its action could occur from the antagonism of dopamine type 2 and serotonin 2A receptors. in bipolar depression, its action must be attributed to the binding of the drugs or its metabolite to the norepinephrine receptor.

Role : Antagonist

Common side effects: feeling fatigue, headache, constipation, dry mouth, gain of appetite, weight gain, upset stomach, stomach pain, back pain, stuffy nose, feeling nervous and excitable

Serious side effects: depression , high blood sugar, infection like fevers, chills, or sore throat, low thyroid levels, neuroleptic malignant syndrome, seizures , trouble passing urine

# data[].attributes.body
Assigned Drug:
Omeprazole

Structure: (image attached)

Functional Groups: Amines & Amine Salts,Ethers & Oxides,Heterocycles,Sulfur Containing Compounds

Heterocycles: Indole, Pyridine

Indication: The treatment of acid-reflux disorders including healing and maintenance of erosive esophagitis, and symptomatic gastroesophageal reflux disease (GERD), peptic ulcer disease

Target Receptor: CYP2C19
Proton pump inhibitors (PPIs) effectively block gastric acid secretion by irreversibly binding to and inhibiting the hydrogen-potassium ATPase pump that resides on the luminal surface of the parietal cell membrane

Mechanism of Action: It suppresses stomach acid secretion by specific inhibition of the H⁺/K⁺-ATPase system found at the secretory surface of gastric parietal cells. Because this enzyme system is regarded as the acid (proton, or H⁺) pump within the gastric mucosa, omeprazole inhibits the final step of acid production.

How it interacts with its target receptor: Omeprazole directly interacts with the proton pump inhibitor. The specific inhibitor is H+,K(+)-ATPase in parietal cells

Adverse Effects:
Dermatologic: Rash
Gastrointestianl: Abdominal pain, Constipation, Diarrhea, Flatulence, Nausea, Vomitting
Neurologic: Dizziness and Headache
Respiratory: Upper respiratory infection
Other: Fever

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Assigned Drug: Sildenafil

Structure: image attached

Functional Groups: Phenylether, Sulfonamide, Tertiary Amine

Hetereocycles: Pyrimidine, Piperazine Ring

Indication: Erectile Dysfunction and Pulmonary Arterial Hypertension

Target Receptor: Phosphodiesterase 5 (PDE5).

Mechanism of Action: PDE5 is a key enzyme involved in the regulation of cGMP-specific signaling pathways in normal physiological processes such as smooth muscle contraction and relaxation. For this reason, inhibition of the enzyme can alter those pathophysiological conditions associated with a lowering cGMP level in tissues.

Role: Inhibitor

Common Side Effects:

Dermatologic: , Flushing
Gastrointestinal: Indigestion
Neurologic:  Insomnia
Ophthalmic: Visual disturbance
Respiratory: Bleeding from nose, Nasal congestion ,Rhinitis

Serious Side Effects

Cardiovascular: Cardiovascular morbidity, Myocardial infarction, Sickle cell anemia with Vaso occlusive crisis
Ophthalmic: Non-arteritic ischemic optic neuropathy, Retinal hemorrhage
Otic: Decreased hearing, Sudden onset, Sudden hearing loss
Reproductive: Priapism, Prolonged erection of 🤬

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Assigned Drug: Methylphenidate

Structure: image attached

Functional Groups: ester, secondary amine, benzene ring

Heterocycles: piperidine

Indication: ADHD and Narcolepsy

Targets: Sodium-dependent dopamine transporter, 5-hydroxyltryptamine receptor, Sodium-dependent noradrenaline transporter

MOA:  While its exact mechanism is unclear, methylphenidate (MPH) has been shown to act as a norepinephrine and dopamine reuptake inhibitor (NDRI), thereby increasing the presence of these neurotransmitters in the extraneuronal space and prolonging their action.

Role: Inhibitor

Common Side Effects:
Gastrointestinal- Decreased appetite, nausea, xerostomia

Nervous system-  Headache including migraine; tension headache), insomnia (including initial insomnia), irritability

Serious Side Effects:

Cardiovascular events- acute myocardial infarctions [MI], sudden cardiac death, stroke, increased heart rate, and increased blood pressure
Growth suppression (pediatric) and Priapism Psychiatric/behavioral effects- pyschosis, mania symptoms

Sources: Lexicomp and Drug Bank

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1. Assigned Drug: Rosuvastatin

2. Structure: ^ shown above

3. Functional Groups: a Carboxylic acid, sulfonamide, alkene, halogenated benzene ring, and 2 secondary alcohols

4. Heterocycles: Pyrimidine

5. Indication: Familial hypercholesterolemia & prevention of cardiovascular (Crestor only)

6. Target: 3-hydroxy-3-methylglutaryl coenzyme A (HMG-CoA)

7: MOA: Rosuvastatin is a selective inhibitor of HMG-CoA which is the rate-limiting enzyme in cholesterol synthesis. The lipid-modifying effects result from its capacity to upregulate hepatic LDL receptors enhancing uptake and catabolism of LDL as well as its activity of inhibiting hepatic synthesis of VLDL contributing to the reduction of VLDL and LDL particles.

8. Side effects: abdominal pain, myalgia, asthenia, headache

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Assigned drug: Valsartan

Structure: image attached

Functional groups: carboxyl acid, amide, and secondary amine

Heterocycles: Tetrazole

Indications: Heart failure with reduced ejection fraction, chronic hypertension, and Post–myocardial infarction

Target: angiotensin II (AT2) receptors

MOA: Antagonism of the angiotensin II (AT2) receptors. It displaces angiotensin II from the AT1 receptor and produces its blood pressure-lowering effects by antagonizing AT1-induced vasoconstriction, aldosterone release, catecholamine release, arginine vasopressin release, water intake, and hypertrophic responses. This action results in a more efficient blockade of the cardiovascular effects of angiotensin II and fewer side effects than ACE inhibitors.

Role: antagonist

Indication: Valsartan is indicated for the treatment of hypertension to reduce the risk of fatal and nonfatal cardiovascular events, primarily strokes and myocardial infarctions. It is also indicated for the treatment of heart failure and left ventricular dysfunction or failure after myocardial infarction when using an ACEI is not appropriate.

Side effects: (BBW) Fetal toxicity; (Significant) Hyperkalemia, Acute kidney injury; Dizziness, Increased blood urea nitrogen

# data[].attributes.body
Assigned Drug: Pantoprazole

Structure: image attached

Functional Groups: Ether, Amines, Sulfoxide

Heterocycle: imidazole, pyridine, indole

# data[].attributes.body
Assigned drug: Acyclovir

Structure: Image above

Functional Groups: alcohol, amine, ether

Heterocycle: imidazole

Indication: acute herpetic keratitis caused by Herpes Simplex Virus type 1 and 2

Targets: DNA Polymerase

MOA: stops replication of herpes viral DNA by competitive inhibition of viral DNA polymerase, incorporation into and termination of the growing viral DNA chain, and inactivation of the viral DNA polymerase

Side effects: Decreased hemoglobin, decrease in absolute neutrophil count, Pruritus, skin rash,  Diarrhea, nausea, Thrombocytopenia, Increased serum bilirubin,

# data[].attributes.body
Assigned Drug: Duloxetine

Structure: Attached image

Functional Groups: Naphthalene, Ether, Secondary Amine

Heterocycles: Thiophene

Indication: major depression

Target: Dopamine transporter

MOA: It is an inhibitor of serotonin and norepinephrine reuptake  and a less active inhibitor of dopamine.

Role of the drug interaction with target: corticotropin releasing hormone receptor-1 antagonist

Side effects of Duloxetine: difficulties sleeping, dizziness, constipation, nausea, blurry vision, dry mouth

# data[].attributes.body
Assigned Drug: Potassium Chloride

Structure: Image attached

Functional Group: Halogenated ion

Heterocycles: None

Indication: Diabetic ketoacidosis, hypokalemia, parenteral nutrition

Targets: Solute carriers

MOA: Potassium is the major cation of intracellular fluid and is essential for the conduction of nerve impulses in heart, brain, and skeletal muscle; contraction of cardiac, skeletal and smooth muscles

Role of drug in interaction: electrolyte supplement

Indication: Potassium chloride is used to replenish the potassium in the body. It is used to treat diabetic ketoacidosis, hypokalemia (low potassium), and used for parental nutrition

Side effects:
Common- diarrhea, flatulence, nausea, vomiting
Serious- cardiac arrest, hyperkalemia, abdominal pain, gastrointestinal ulcer

# data[].attributes.body
Assigned Drug: Amitriptyline

Structure: image above

Functional Groups: tertiary amine, 2 benzene rings, cycloheptane

Heterocycles: none

Indication: major depression or social anxiety

targets: 5-HT receptors 2A & 1A, sodium-dependent noradrenaline transporter,  and sodium-dependent serotonin transporter

MOA: The precise action of this tricyclic antidepressant is still not fully understood, but scientists believe that it inhibits the re-uptake of both norepinephrine & serotonin. Amitriptyline contains a desipramine that is metabolized into nortriptyline which accounts for the majority of the norepinephrine reuptake inhibition. Hydroxy metabolites are also active as well and contribute to the down-regulation of limbic beta-receptors. Typical therapeutic concentrations are achieved in about 5-7 days.

Common Side effects: weight gain, constipation, xerostomia, dizziness, headache, somnolence, blurred vision.

Serious Side effects: cardiac dysrhythmia, electrocardiogram abnormal, myocardial infarction, prolonged QT interval, sudden cardiac death, agranulocytosis, hepatotoxicity, jaundice, neuroleptic malignant syndrome, seizure, depression, suicidal thoughts

# data[].attributes.body
Assigned Drug: Valacyclovir

Structure: Above

Functional Groups: Amide group, ketonic group, ether group, methyl group, amino group

Heterocycles: Imidazole

Indication for use: herpes simplex virus 1, herpes simple virus 2, varicella-zoster virus.

Targets: Thymidine Kinase, DNA polymerase catalytic subunit

MOA: Valacyclovir is converted to acyclovir, which is converted to its triphosphate from, acyclovir triphosphate (ACV-TP). ACV-TP competitively inhibits viral DNA polymerase, incorporates into and terminates the growing viral DNA chain, and inactivates of the virus DNA polymerase.

Role: Antiviral Nucleosides

side effects: Headache, Nausea, Vomiting, Loss of strength and energy, Abdominal pain, Menstrual pain

# data[].attributes.body
Assigned drug: Estradiol

Structure: Attached Image

Functional Groups: Phenol, Alcohol

Heterocycles: none

Indication: Breast cancer, metastatic; functional hypothalamic amenorrhea with low bone density; hormone therapy; hypoestrogenism;

Targets: Estrogen receptors

MOA: Estrogens are responsible for the development and maintenance of the female reproductive system and secondary sexual characteristics. Estradiol is the principle intracellular human estrogen and is more potent than estrone and estriol at the receptor level; it is the primary estrogen secreted prior to menopause. Following menopause, estrone and estrone sulfate are more highly produced. Estrogens modulate the pituitary secretion of gonadotropins, luteinizing hormone, and follicle-stimulating hormone through a negative feedback system; estrogen replacement reduces elevated levels of these hormones in postmenopausal women.

Role: Agonist

Common Side Effects: anxiety, bloating, angioedema, headache, weight changes

Serious Side Effects: increased risk of endometrial cancer, cardiovascular risk (stroke and dvt), risk for breast cancer,

# data[].attributes.body
Assigned Drug: Ondansetron

Structure: (image attached)

Functional Groups: Imine, Tertiary Amine, Ketone, Arene

Heterocycles: Imidazole

Indication: Nausea and vomiting associated with chemotherapy, radiotherapy, or operation

Target: 5-hydroxytryptamine-3 (5-HT3) receptor (a ligand-gated ion channel)

MOA: It antagonizes the 5-HT3-receptor which blocks serotonin, both peripherally on vagal nerve terminals and centrally in the chemoreceptor trigger zone.

Role: Antagonist

Common Side Effects:
Gastrointestinal - Constipation, Diarrhea
Neurologic - Headache
Respiratory - Hypoxia
Other - Fatigue, Malaise

Serious Side Effects:
Cardiovascular - Abnormal Electrocardiogram, Prolonged QT interval, Torsades de Pointes
Other - Serotonin syndrome

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Assigned Drug: Diltiazem

Structure: Image Attached

Functional Groups: tertiary amines, benzene, thioether, aldehyde, ketone

Heterocycles: none

Indications: Hypertension, angina pectoris, atrial fibrillation or atrial flutter, pulmonary arterial hypertension, nonsustained ventricular tachycardia or ventricular premature beats, supraventricular tachycardia

Target(s): cardiac and vascular smooth muscle

Mechanism of Action: Inhibits calcium ion from entering the “slow channels” or select voltage-sensitive areas of vascular smooth muscle and myocardium during depolarization; produces relaxation of coronary vascular smooth muscle and coronary vasodilation; increases myocardial oxygen delivery in patients with vasospastic angina.

Role of Drug in Interaction with Target: antagonist

Side Effects: conduction abnormalities, cutaneous hypersensitivity reactions, headache, fatigue, dizziness

# data[].attributes.body
Assigned Drug: Citalopram

Structure: Image attached

Functional Groups: tertiary amine, benzene

Heterocycles: Tetrahydrofuran

Indication: Aggressive behavior associated with dementia, binge eating disorder, generalized anxiety disorder, major depressive disorder, obsessive-compulsive disorder, panic disorder, posttraumatic stress disorder, social anxiety disorder, and vasomotor symptoms associated with menopause

Targets: Serotonin Transporter

MOA: A racemic bicyclic phthalane derivative, citalopram selectively inhibits serotonin reuptake in the presynaptic neurons and has minimal effects on norepinephrine or dopamine. Uptake inhibition of serotonin is primarily due to the S-enantiomer of citalopram. Displays little to no affinity for serotonin, dopamine, adrenergic, histamine, GABA, or muscarinic receptor subtypes.

Role: Selective Serotonin Reuptake Inhibitor

Side Effects:

Cardiovascular: Myocardial infarction, Prolonged QT interval, Torsades de pointes

Hematologic: Hemorrhage, Abnormal

Neurologic: Cerebrovascular accident

Psychiatric: Suicidal thoughts, Suicide

Other: Serotonin syndrome

Dermatologic: Diaphoresis

Gastrointestinal: Constipation, Diarrhea, Nausea, Vomiting, Xerostomia

Neurologic: Dizziness, Headache, Insomnia, Sedated, Somnolence, Tremor

Psychiatric: Agitation

Reproductive: Disorder of 🤬

Other: Fatigue

# data[].attributes.body
Assigned Drug: Pravastatin

Structure: image attached

Functional Groups: Carboxylic acid, Secondary Alcohols, Ester, Cyclohexenes

Heterocycles: None

Indication: Prophylaxis for patients with clinically evident coronary heart disease and for Hypercholesterolemia (primary, heterozygous familial, familial type 3 hyperlipoproteinemia, hypertrigylceridemia)

Target: 3-hydroxy-3-methylglutaryl-coenzyme A (HMG-CoA) reductase

Mechanism of Action: Pravastatin is a competitive, reversible inhibitor of HMG-CoA reductase which is the rate-limiting enzyme for cholesterol synthesis. Pravastatin prevents the conversion of HMG-CoA into mevalonate (precursor for cholesterol) which clears circulating LDL and prevents the production of LDL by inhibiting its precursor.

Interaction with Target: Enzyme Inhibitor

Side Effects: rash, diarrhea, nausea and vomiting, musculoskeletal pain, headache, cough, upper respiratory infection, diabetes mellitus, pancreatitis, increased liver enzymes, liver failure, statin-associated autoimmune myopathy

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Assigned Drug: Allopurinol
Structure: Attached Image
Functional Groups: Amide, Amine

Heterocycles: Pyrazole, Pyrimidine
Indications: Gout, Nephrolithiasis, Recurrent calcium or uric acid stones, Tumor lysis syndrome
Target: xanthine dehydrogenase
MOA: By metabolizing into oxypurinol, allopurinol inhibits xanthine oxidase and essentially stops the production of uric acid.
Side Effects:
- Common: Maculopapular eruption, Pruritus (less than 1%)

- Serious: Drug reaction with eosinophilia and systemic symptoms, Rash (up to 3% ), Stevens-Johnson syndrome (less than 1% ), Toxic epidermal necrolysis (less than 1% ); Agranulocytosis, Aplastic anemia, Eosinophil count raised, Myelosuppression, Thrombocytopenia (0.6% ); Granulomatous hepatitis (less than 1% ), Hepatic necrosis (less than 1% ), Hepatotoxicity; Hypersensitivity reaction; Renal failure (less than 1% )

# data[].attributes.body
Assigned Drug: Escitalopram

Functional Groups: Amine, Tetrahydrofuran, nitrile, ether, fluorobenzene

Heterocycles: None

Indications: Depression and generalized anxiety disorder

Drug Target: serotonin (5-HT)

MOA: The S-enationmer of racemic citalopram, is presumed to be linked to potentiation on serotonergic activity in the CNS result from its inhibition of CNS neuronal reuptake of serotonin.

Side Effects: Include but are not limited to:
Dizziness
Nausea
Diarrhea and/or constipation
Dry Mouth
Insomnia
Sweating profusely
Flu-Like Symptoms
Runny Nose
Congestion
Fatigue
Most severe side effects include: mood swings, seizures, bleeding in vomit or while coughing, etc.

# data[].attributes.body
Assigned Drug: Cetirizine

Structure: Image attached

Functional Groups: Carboxylic acid, ether

Heterocycles: Piperazine

Indications: seasonal allergies, chronic and acute idiopathic urticaria, atopic dermatitis, ocular pruritis

Target: Histamine H1 receptor

MOA: Antagonist of the histamine H1 receptor which helps to limit inflammatory responses

# data[].attributes.body
Assigned Drug: Albuterol

Structure: image attached

Functional Groups: Primary Alcohol (1), Secondary Alcohol (1), Secondary Amine (1), Phenol (1)

Heterocycles: N/A

Indication: Prevention/treatment of difficulty breathing, wheezing, shortness of breath, coughing and chest tightness caused by lung disease (asthma and chronic obstructive pulmonary disease)

Target(s): Beta-2 adrenergic receptors

Mechanism of Action: Acts on the beta-2 receptors to relax bronchial smooth muscle. Inhibits the release of immediate hypersensitivity mediators from cells.

Interaction with Target: agonist

Indication: asthma, bronchospasm due to anaphylaxis, chronic obstructive pulmonary disease, hyperkalemia

Side Effects: cardiovascular effects, CNS effects, Paradoxical bronchospasm

# data[].attributes.body
-Assigned drug: Sitagliptin

-Functional Groups: benzene, amine (primary and tertiary), carbonyl, akyl halide, amide

-Heterocycle: trizole

-Indication: Diabetes Type II

-Target(s): Dipeptidyl peptidase (DDP-4) enzyme

-Mechanism of Action: Sitagliptin inhibits DDP-4. DDP-4 slows the production of hormones that decreases blood glucose levels, while insulin synthesis is increased.

-Role of the drug in interaction with the target: enzyme inhibitor

-Indication: (Diabetes mellitus, type 2, treatment) As an adjunct to diet and exercise to improve glycemic control in adults with type 2 diabetes mellitus, as monotherapy or combination therapy.

-Side effects:
• Headache

• Signs of a common cold

• Nose or throat irritation
• Kidney problems like unable to pass urine

• Low blood sugar
• Pancreas problems (pancreatitis) like severe stomach pain
• A severe skin reaction

# data[].attributes.body
Assigned Drug: Metformin

Functional Groups: primary and tertiary amines (asymmetrical biguanide)

Heterocycles: None

Indicated for Type 2 Diabetes Mellitus

Targets: mitochondrial complex 1, glucagon-like peptide 1 (GLP-1)

Mechanism of action: Exact mechanism of action is unknown. Metformin decreases the production of glucose in the liver, decreases the absorption of glucose in the intestine, and increases the uptake of peripheral glucose to improve insulin sensitivity.

Major side effects include lactic acidosis (Black Box Warning), GI effects (diarrhea, nausea, vomiting, flatulence, abdominal pain), and vitamin B12 deficiency (leading to anemia and neuropathy). Other possible side effects include chest discomfort, flushing, palpitations, hypoglycemia, chills, dizziness, headaches, muscle pain, trouble breathing, flu-like symptoms, and upper respiratory tract infections.

# data[].attributes.body
Assigned Drug: Glipizide

Functional groups: Benzene, Amide, Sulfonylurea, Cyclohexane

Heterocycles: Pyrazine

Indication: Type 2 Diabetes

Target: Pancreatic Beta Cells

MOA: Glipizide sparks a release, from the pancreas, of insulin. There is a decrease in the amount of glucose that is removed by the liver. Peripheral target sites acquire an increase in insulin sensitivity.

Side effects:
Hypoglycemia, Abdominal pain, constipation, diarrhea, dyspepsia, flatulence, nausea, vomiting, eczema, erythema of skin, maculopapular rash, morbilliform rash, pruritus, urticaria, dizziness, drowsiness, headache, nervousness, tremor, increased lactate dehydrogenase, increased serum alkaline phosphatase, increased serum aspartate aminotransferase, increased blood urea nitrogen, increased serum creatinine, skin rash, hyponatremia, agranulocytosis, aplastic anemia, hemolytic anemia, leukopenia, pancytopenia, thrombocytopenia, cholestatic jaundice, hepatic injury, hepatic porphyria, jaundice, myopathy, disulfiram-like reaction

# data[].attributes.body
Assigned Drug: Furosemide

Structure: Image attached

Functional groups:  amine, alkyl halide, carboxylic acid

Heterocycle:  Oxole

Indication:  treatment of edema associated with congestive heart failure, cirrhosis of the liver, and renal disease, including the nephrotic syndrome, in adults and pediatric patients.

Target:  SLC12A1, CA2, GPR35

MOA:  promotes diuresis by blocking tubular reabsorption of sodium and chloride in the proximal and distal tubules, as well as in the thick ascending loop of Henle.

Role of drug interaction with target: inhibits the luminal Na-K-Cl cotransporter.

Side effects of Furosemide: peeing more than normal, feeling thirtsy, dry mouth, headaches, feeling confused or dizzy, feeling of being sick (nausea or vomiting).

# data[].attributes.body
Assigned Drug: Diclofenac
Structure: Image attached
Functional Groups: carboxylic acid, secondary amine, and benzene ring
Heterocycles: None
Indication: provides anti-inflammatory and analgesic effects in the symptomatic treatment of osteoarthritis, rheumatoid arthritis,  mild to moderate acute pain, and ankylosing spondylitis, used in the acute treatment of migraine attacks with or without aura and in the management of primary dysmenorrhea symptoms
Target: COX-1 and COX-2
MOA: inhibits the synthesis of prostaglandins by through inhibition of cyclooxygenases (COX-1 and COX-2); other exact mechanisms have yet to be established.
Interaction Role: COX-1 and COX-2 inhibitor
Indication: Osteoarthritis, Rheumatoid Arthritis, and Ankylosing Spondylitis
Side Effects: dizziness, headache, edema, abdominal pain, constipation, diarrhea, nausea/vomiting, dyspepsia, pain in extremities, skin hypersensitivity reactions, GI inflammation, ulcers, and bleeding

# data[].attributes.body
Assigned Drug: Lorazepam
Structure: image attached
Functional Groups: Halogen, Amide, secondary alcohol
Heterocycles: none
Indication: treatment of anxiety, treatment of status epilepticus
Target: GABA-A receptor
MOA: Binds to postsynaptic receptors on GABA neuron and inhibits, resulting in increased membrane permeability to Cl- ions. The shift in Cl- ions results in hyperpolarization and stabilization.

# data[].attributes.body
1) Clopidogrel (Plavix)

2) Structure: Posted
3) Functional Groups: Circled
4) Heterocycles: Circled
5) Target: ADP Receptor -- P2Y12
6) Mechanism of Action:
While active, Clopidogrel irreversibly blocks P2Y12 component of ADP receptors on platelet surface -- prevents activation of GPIIIb/IIIa receptor complex (decrease platelet aggregation).
7) Interaction Role: P2Y12 Antagonist
8) Indication: Acute Coronary Syndrome (myocardial infarction)
9) Side Effects: Vomiting up Blood, Blood in urine, Bleeding from gums, abnormal vaginal bleeding, random bruising, Fatigue, tachycardia, confusion, hunger, sweating

# data[].attributes.body
Assigned Drug:  benztropine

Functional Groups:  two benzenes, a tertiary amine, and ether

Heterocycles:  pyrrolidine

Indication: drug-induced extrapyramidal symptoms and parkinsonism

Target: cholinergic receptors

MOA:  Possesses both anticholinergic and antihistaminic effects. antagonizes the effect of acetylcholine to decrease imbalance of acetylcholine and dopamine

Interaction with receptor:  inhibitor

Side Effects: tachycardia, confusion, depression, skin rash, constipation, nausea, dysuria, and blurred vision

# data[].attributes.body
Assigned Drug: Warfarin
Structure: Image Attached
Functional Groups: Ketone, Ester, Secondary Alcohol
Heterocycles: 2H Chromene
Indications: Cardiac, Myocardial infection, Atrial fibrillation or flutter, Stress cardiomyopathy, Stroke or transient is chemical attack, Valvular, etc.
Target: VKORC1
MoA: Hepatic synthesis of coagulation factors II, VII, IX, and X, as well as proteins C and S, requiring vitamin K. Changes vitamin K from active form to inactive form.
Role: Antagonist
Indication: Adjunct to reduce risk of systemic embolism after myocardial infarction. Prophylaxis and treatment of thromboembolic disorders and embolic complications arising from atrial fibrillation or cardiac valve replacement.
Side Effects: Bleeding like vomiting blood or vomit that looks like coffee grounds; coughing up blood; blood in the urine; black, red, or tarry stools; bleeding from the gums; abnormal vaginal bleeding; bruises without a reason or that get bigger; or any severe or persistent bleeding, Kidney problems like unable to pass urine, blood in the urine, change in amount of urine passed, or weight gain, Weakness on 1 side of the body, trouble speaking or thinking, change in balance, drooping on one side of the face, or blurred eyesight, Swelling, warmth, numbness, change of color, or pain in a leg or arm, Chest pain, Severe dizziness, Passing out, Swelling. Severe headache, Skin discoloration to black or purple, Body temperature change, Pain, Severe loss of strength and energy, Signs of an allergic reaction, like rash; hives; itching; red, swollen, blistered, or peeling skin with or without fever; wheezing; tightness in the chest or throat; trouble breathing, swallowing, or talking; unusual hoarseness; or swelling of the mouth, face, lips, tongue, or throat.

# data[].attributes.body
Assigned Drug: Metoprolol
Structure: Attached
Functional Groups: Ethers, Secondary Alcohol, Secondary Amine, Isopropyl, Benzene ring
Heterocycles: None
Indications: angina, heart failure, myocardial infarction, atrial fibrillation, atrial flutter and hypertension
Targets: Beta 1/2 Adrenergic receptors
MOA: Inhibitor of Beta 1/2 Adrenergic receptors in cardiac cells. It lowers cardiac output by producing negative chronotropic and inotropic effects without presenting activity toward membrane stabilization or intrinsic sympathomimetics.
Role: Antagonist
Indication: Angina, Heart failure, Myocardial infarction, Atrial fibrillation, Atrial flutter and Hypertension.

Common Side Effects:
Feeling dizzy, tired, or weak
Diarrhea, upset stomach, or throwing up

Serious Side Effects:
Low mood (depression)
Very bad dizziness or passing out
Chest pain that is new or worse
An abnormal heartbeat that is new or worse
Slow heartbeat
Shortness of breath, a big weight gain, or swelling in the arms or legs

Allergic Side effects:
Rash
Hives
Itching
Red
Swollen
Blistered
Peeling skin with or without fever
Wheezing
Tightness in the chest or throat
Trouble breathing
Swallowing or talking
Unusual hoarseness
Swelling of the mouth, face, lips, tongue, or throat.

# data[].attributes.body
Assigned Drug: Ramipril

Structure: Image Attached

Functional Groups: One amide, one carboxylic acid, and one aromatic.

Heterocycle: None

Indication: Hypertension, Reduction in the risk of Myocardial Infarction, Stroke, and death from Cardiovascular Causes, Heart Failure Post-Myocardial Infarction

Target: Ramipril is an ACE inhibitor used for the management of hypertension and the reduction of cardiovascular mortality following myocardial infarction in hemodynamically stable patients with clinical signs of congestive heart failure.

Mechanism of Action: Ramipril inhibits the RAAS system by binding to and inhibiting ACE thereby preventing the conversion of angiotensin I to angiotensin II. As plasma levels of angiotensin II fall, less activation of the G-protein coupled receptors angiotensin receptor I  and angiotensin receptor II occurs.

Common Side Effects:
-A dry, tickly cough that does not get better
-Feeling dizzy or lightheaded, especially when you stand up or sit up quickly
-Headaches
-Diarrhea
-Being sick (vomiting)
-A mild skin rash
-Blurred vision

Serious Side Effects:
-Swelling of the face, throat, tongue, lips, eyes, hands, feet, ankles, or lower legs
-Hoarseness
-Difficulty breathing or swallowing
-Yellowing of the skin or eyes
-Fever, sore throat, chills, and other signs of infection
-Lightheadedness
-Fainting

# data[].attributes.body
Assigned Drug: Alfuzosin
Structure: Image Attached
Functional Groups: amines, ether
Heterocycles: tetrahydrofuran
Indication: for the symptomatic treatment of benign prostatic hyperplasia (BPH) and the treatment of erectile dysfunction (ED)
Target: Selective Antagonist at Alpha-1 Receptors
Mechanism of Action: Alfuzonsin works as a blockage at the Alpha-1 receptors. When these receptors are blocked, it causes a relaxation of the smooth muscles along the neck of the bladder and prostate. This reduces the amount of pressure placed on the urethra by BPH or ED and improves the quality of urine flow.
Role of Drug: Alfuzosin works as an enzyme inhibitor at the Alpha-1 adrenergic receptors.
Side Effects: tiredness, headache, runny/stuffy nose, pain, stomach pain, heartburn, constipation, nausea

# data[].attributes.body
Assigned Drug: Denosumab

Functional Groups: arene, benzine ring, alkene, amine (primary and tertiary), carbonyl, enamine, carboxamide

Heterocycle: pyrrole

# data[].attributes.body
Assigned Drug : Atorvastatin

Structure : image

Functional groups : Carboxylic acid, aromatic amine, ketone

Heterocycle : Pyrrole

Target : 3-hydroxy-3-methylglutaryl

Indication : Hypertriglyceridemia and adults with hyperlipidemia

MOA : Inhibits 3-hydroxy-3-methylglutaryl coenzyme A  (HMG-CoA) reductase which is a rate limiting enzyme in cholesterol synthesis.

Side Effects : Diarrhea, nausea, joint paint, sore throat, having trouble sleeping, stuffy nose.

Role of drug in interaction : Enzyme inhibitor (inhibits coenzyme A (HMG-CoA) reductase)

# data[].attributes.body
Assigned Drug: Bupropion
Structure: Image Attached
Functional Groups: Amines & Amine Salts,Halides,Ketones & Ketals
Heterocycles: none
Indication: Antidepressant
Target(s): Sodium-dependent dopamine transporter,
Sodium-dependent noradrenaline transporter
Mechanism of Action: Bupropion is a norepinephrine/dopamine-reuptake inhibitor (NDRI) that exerts its pharmacological effects by weakly inhibiting the enzymes involved in the uptake of the neurotransmitters norepinephrine and dopamine from the synaptic cleft, therefore prolonging their duration of action within the neuronal synapse and the downstream effects of these neurotransmitters.
Interaction: Sodium-dependent dopamine transporter inhibitor,
Sodium-dependent noradrenaline transporter inhibitor
Indication: major depressive disorder, seasonal affective disorder, smoking cessation
Side effects: activation of mania or hypomania, insomnia, anxiety, agitation, angle-closure glaucoma, seizure, suicidal thinking and behavior.

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Assigned Drug: Ergocalciferol
Structure: Attached
Functional Groups: triene, hydroxyl
Heterocycles: none

Indication: for the treatment of hypoparathyroidism, refractory rickets, and familial hypophosphatemia.

Target: Vitamin D response elements

MOA: mobilization and accretion of calcium and phosphorus in the bone, absorption of calcium and phosphorus in the intestine, and reabsorption of calcium and phosphorus in the kidney.

Role of drug interaction with target: mobilization and accretion of calcium and phosphorus in the bone, absorption of calcium and phosphorus in the intestine, and reabsorption of calcium and phosphorus in the kidney

Side Effects: Overdosage with this agent is reported to produce hypervitaminosis characterized by hypercalcemia, renal impairment, calcification of soft tissues, a decline in the rate of linear growth and increase in bone mineralization

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Assigned Drug: Fluticasone

Structure: Image Attached

Functional Groups: Ester, and thioester
Heterocycles: None

Indication: Management of seasonal and perennial allergic rhinitis and treatment of chronic rhino sinusitis

Drug Class: Corticosteroids

Mechanism of Action: Fluticasone belongs to a group of corticosteroids which utilizes a fluorocarbothioate ester linkage at the 17 carbon position; extremely potent vasoconstrictive and anti-inflammatory activity

It is an agonist at the glucocorticoid receptor

Hepatic via CYP3A4 to 17 beta-carboxylic acid (negligible activity)

Hepatic function impairment: Accumulation of fluticasone in plasma may occur in patients with hepatic impairment.

Some side effects may include headache, nausea, vomiting, cough, stinging, and sneezing

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Assigned drug: Dutasteride
Structure: image attached
Functional groups: Benzene, Halogenated compounds, Ketone, Amide
Heterocycles: none

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-Assigned Drug: Spironolactone
-Structure: attached image
-Functional Groups: Ketone, Ester functionality that is the lactone heterocycle, Carbon double bonds, Ketone attatched to cyclic structure, Methyl
Heterocycles: Lactone

(could not figure out how to edit my old one, so I copied and pasted my old post to my now new updated post)

-indication: hypertension, heart failure, ascites due to cirrhosis of liver-edema, primary hyperaldosteronism, and edema-nephrotic syndrome
-target: mineralocorticoid (aldosterone) receptor antagonist
-MOA: renal competitive aldosterone antagonist, so it inhibits effect of aldosterone in the body. It antagonizes the aldosterone-dependent sodium-potassium exchange site in kidneys, decreasing excretion of potassium and increasing secretion of water and sodium.

-side effects:
Gynecomastia and Hyperkalemia are the most significant common side effects to consider. Other common side effects include diarrhea, nausea, vomiting, somnolence, erectile dysfunction, and disordered mensuration.

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Assigned drug: levothyroxine

Functional groups: Phenolic –OH group, halide, ether, primary amine, carboxylic acid

Heterocycles: phenol

Indications: primary, secondary, and tertiary hypothyroidism , Myxedema coma and Thyroid stimulating hormone suppression therapy-Pituitary

Targets: TRα1, TRβ1

MOA: “Triiodothyronine (T3) and levothyroxine (T4) diffuse into the cell nucleus and bind to thyroid receptor proteins attached to DNA. This hormone nuclear receptor complex activates gene transcription and synthesis of messenger RNA and cytoplasmic proteins. The physiological actions of thyroid hormones are produced predominantly by T3, the majority of which (approximately 80%) is derived from T4 by deiodination in peripheral tissues” (Micromedex)

[8] Product Information: Levothyroxine sodium intravenous injection, levothyroxine sodium intravenous injection. Fresenius Kabi USA LLC (per FDA), Lake Zurich, IL, 2019.

Interaction: It is the agonist of Thyroid hormone receptor alpha and beta.

Indications: Levothyroxine is indicated as replacement therapy in primary (thyroidal), secondary (pituitary) and tertiary (hypothalamic) congenital or acquired hypothyroidism. It is also indicated as an adjunct to surgery and radioiodine therapy in the management of thyrotropin-dependent well-differentiated thyroid cancer.

Side effects:

weight gain or loss

headache

vomiting

diarrhea

changes in appetite

fever

changes in menstrual cycle

sensitivity to heat

hair loss

joint pain

leg cramps

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Assigned Drug: Pantoprazole

Structure: image attached

Functional Groups: Ether, Amines, Sulfoxide

Heterocycle: imidazole, pyridine, indole

Indication: gastroesophageal reflux disease

Targets: H₂-receptor antagonists

Mechanism of Action: Proton pump inhibitor, suppresses gastric acid secretion by inhibiting the parietal cell H+/K+ ATP pump

Side Effects:
-Cutaneous and systemic lupus erythematosus

-Enteric infections

-Fractures

-Fundic gland polyps

-Hypersensitivity

-Hypomagnesemia

-Interstitial nephritis

-Vitamin B12 deficiency

​

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Tramadol
Indications: pain management
Targets: μ-opiate receptors
Mechanism of action: μ-opiate receptors binding by tramadol and active metabolite. CNS causes inhibition of ascending pain pathways which alters the perception of and response to pain. The reuptake of norepinephrine and serotonin is inhibited, which helps with pain relief
This drug doesn't necessarily have a defined mechanism of action, but it does inhibit neurotransmitters - norepinephrine and epinephrine, which are believed to contribute to its pain relieving abilities. As of now, it is classified as a non-controlled analgesic.
Indications: chronic pain
- Off-label: premature 🤬
Side effects include:
• Feeling dizzy, sleepy, tired, or weak

• Constipation, diarrhea, throwing up, or upset stomach

• Dry mouth

• Headache

• Itching

• Trouble sleeping

• Flushing

• Sweating a lot

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Assigned Drug: Omalizumab

Structure: Attached

Indication: Asthma / Chronic Spontaneous Urticaria / Nasal Polyps

Target Receptor: Immunoglobulin E (IgE)

Mechanism of Action: Omalizumab is an IgG monoclonal antibody which inhibits IgE binding to the high-affinity IgE receptor on mast cells and basophils. By decreasing bound IgE, the activation and release of mediators in the allergic response is limited. Long-term treatment in patients with allergic asthma showed a decrease in asthma exacerbations and corticosteroid usage.

Common Side Effects: Bleeding, blistering, burning, coldness, body aches, flu-like symptoms, congestion, dryness of throat, headache, hoarseness, leg pain, stuffy/runny nose

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Assigned Drug: Denosumab

Functional Groups: arene, benzine ring, alkene, amine (primary and tertiary), carbonyl, enamine, carboxamide

Heterocycle: pyrrole

Indication: treatment of postmenopausal women with osteoporosis at high risk for fracture defined as a history of osteoporotic fracture, or multiple risk factors for fracture; or patients who have failed or are intolerant to other available osteoporosis therapy

Target: RANKL (RANK ligand), a protein that acts as the primary signal to promote bone removal/resorption.

MOA: Inhibits RANKL and helps regulate turnover in healthy bone. Denosumab binds with high specificity and affinity to the cytokine RANKL, inhibiting its action; as a result, osteoclast recruitment, maturation and action are inhibited, and bone resorption slows

Role: Antagonist

Side Effects:

red, dry, or itchy skin

oozing or crusty blisters on skin

peeling skin

back pain

pain in your arms

swelling of arms or legs

muscle or joint pain

nausea