Term
| Define structurally non-specific drugs |
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Definition
Drugs which do not require specific sites of action
Biologic effect is related to physical properties (instead of chemical structure) |
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Term
| Give an example of a structurally non-specific drug |
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Definition
| Osmotic diuretics, gastric antacids, general anesthetics, antiseptics (iodine, peroxide, alcohols, etc) |
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Term
| Define structurally specific drugs |
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Definition
| Agents that usually interact with a specific protein to initiate a specific biological response or transduction of a signal |
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Term
| List the four levels of protein structure |
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Definition
1': AA sequence
2': α-helix or β-sheet
3': 3D shape, with binding pocket
4": polypeptide assembly |
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Term
| List four protein targets of drugs |
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Definition
1. Receptors
2. ion channels
3. Enzymes
4. transporters |
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Term
| What two interactions allow a complementary fit between a ligand and active site? |
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Definition
1. Steric (shape)
2. Physiochemical (attractions by functional groups) |
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Term
| List the three Van der Waals interactions |
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Definition
1. Dipole-dipole (including H bonds)
2. Dipole-induced dipole
3. Induced-dipole-induced dipole (LDF) |
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Term
| Define cation-pi interaction |
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Definition
| A non-covalent molecular interaction between the face of an electron rich π system (ex. benzene) and an adjacent cation |
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Term
| Define hydrophobic effect |
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Definition
| When two aklyl chains approach one another, water is extruded from the space between them, resulting in decreased energy and increased entropy |
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Term
| What are the two types of steric complementarity? |
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Definition
1. Entiomerism
2. Geometric isomerism |
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Term
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Definition
| An active or desired entiomer |
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Term
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Definition
| An entiomer without activity or with undesired activity |
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Term
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Definition
| The portion of a drug that is responsible for its biological action |
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Term
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Definition
| A biologically active compound as a starting point for chemical modification in order to improve potency, selectivity, or pharmacokinetic parameters |
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Term
| List some ways scientists discover a lead compound |
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Definition
-Random screening
-Nonrandom screening
-Drug metabolism studies
-Clinical observation
-Rational approaches |
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Term
| List some ways scientists modify a lead compound |
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Definition
-Identify the pharmacophore
-Modify functional groups
-Structure-activity relationship (SAR) study
-Structure modification
-Quantitative SAR
-Molecular graphics-based design |
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Term
| Define chemical isoterism |
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Definition
| The similarity in physiochemical properties of ions, compounds, or elements due to the similar electronic structure (on periodic table) |
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Term
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Definition
Compounds with functional groups of similar spatial and electronic character, resulting in similar physiochemical properties or biological actions
A common way to generate marketable analogues of a known drug |
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Term
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Definition
Structure-Activity Relationship
The relationship of the molecular structure of a compound with a biological property
QSAR=quantitative SAR |
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Term
| What can functional group pKa on a drug influence? |
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Definition
Ionization
Rates of dissolution/absorption |
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Term
| What can functional group logP on a drug influence? |
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Definition
Solubility/permeability
Rate of dissolution/absorption |
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Term
| What is Lipinski's Rule of 5? |
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Definition
An active drug has no more than one violation of the following:
-No more than 5 H-bond donors
-No more than 10 H-bond acceptors
-A molecular mass not greater than 500 daltons
-An octanol-water partition coefficient log P not greater than 5 |
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Term
| How are structural types classified into groups? |
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Definition
1. Aromatic vs Non-aromatic
2. Mono-cyclic vs Multi-cyclic
3. Homo-cyclic vs Hetero-cyclic |
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Term
| Define privileged scaffolds |
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Definition
| Molecular frameworks that are seemingly capable of serving as ligands for a diverse array of receptors |
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Term
| Describe the first phase of drug metabolism |
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Definition
| Oxidation, reduction, and hydrolysis |
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Term
| Describe the second phase of drug metabolism |
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Definition
| Conjugation reactions: acetylation, sulfation, glucuronidation |
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Term
| List some oxgenase enzymes involved in phase 1 of metabolism |
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Definition
| Cytochrome P450, flavin monooxygenase, alcohol DH, aldehyde DH |
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