Lecture 3 & 4 - QSAR Flashcards Preview

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Flashcards in Lecture 3 & 4 - QSAR Deck (16):
1

What is a pharmacophore

The atoms and functional groups required for a specific pharmacological activity and their relative positions in space.

2

What are some features of an active drug

-appropriate binding groups
-correct positioning of binding groups
-molecule is the right size
-extra groups fit into the receptor pockets

3

What can increase selectivity or potency

Conformational restriction

4

What is a bioisostere

A compound resulting from the exchange of an atom or group with another broadly similar atom

5

What are partition coefficients most commonly measured in

octanol

6

What is X in Hansh equation

Substituted molecule

7

What logP value should CNS drugs have ~?

2

8

πx =?

logPx - logPh

9

What is the name for πx

Hydrophobic substituent constant

10

What is another name for the electronic substituent parameter?

Hammett parameter

11

Electron withdrawing groups do what to the deprotonated form of the acid?

Stabilise it

12

A larger Ka value =

A smaller pKa value

13

What values do electron donating substituents generally have

σ < 0

14

What is an isostere?

An atom or group of atoms which have the same number of valence electrons and have chemical and physical similarties

15

Is a lower TI better or a higher TI better

Higher

16

What are some other QSAR parameters

Steric substituent constant
Molar refractivity
Molecular connectivity