Physicochemical Properties in Drug Design Flashcards

1
Q

What are the requirements for effective therapeutic agent?

A
  1. Good efficiency
  2. High specificity for the biological target
How well did you know this?
1
Not at all
2
3
4
5
Perfectly
2
Q

What conditions are required for high specificity?

A
  1. Surfaces must be complementary in shape
  2. Complementary non-covalent interactions between drug and receptor
How well did you know this?
1
Not at all
2
3
4
5
Perfectly
3
Q

What energy contributes to binding?

A

All energy

Drug + protein + solvent

How well did you know this?
1
Not at all
2
3
4
5
Perfectly
4
Q

Delta G = Delta H - T Delta S

Which part contributes to interraction changes?

A

Delta H

How well did you know this?
1
Not at all
2
3
4
5
Perfectly
5
Q

Delta G = Delta H - T Delta S

Which part contributes to structures changes?

A

T Delta S

How well did you know this?
1
Not at all
2
3
4
5
Perfectly
6
Q

Delta G = Delta H - T Delta S

What do structural changes include?

4 points

A
  • Rotational
  • Vibational
  • Translational
  • Disolvation

Disolvation included in both

How well did you know this?
1
Not at all
2
3
4
5
Perfectly
7
Q

Delta G = Delta H - T Delta S

What do interaction changes include?

5 points

A
  • Electrostatic
  • Induction
  • Repulsion
  • Dispertion
  • Disolvation

Disolvation included in both

How well did you know this?
1
Not at all
2
3
4
5
Perfectly
8
Q

What do VDW interracitons include?

2 points

A
  • Repulsion
  • Dispertion
How well did you know this?
1
Not at all
2
3
4
5
Perfectly
9
Q

With regards to H bonding

What is alpha H?

A

Bond donor constant

How well did you know this?
1
Not at all
2
3
4
5
Perfectly
10
Q

With regards to H bonding

What is beta H?

A

Bond acceptor constant

How well did you know this?
1
Not at all
2
3
4
5
Perfectly
11
Q

Do the following conditions favour or disfavour complex

High H-bond acceptor and high H-bond donor

A

Favourable complex

How well did you know this?
1
Not at all
2
3
4
5
Perfectly
12
Q

Do the following conditions favour or disfavour complex

Low H-bond acceptor and Low H-bond donor

A

Favourable complex

How well did you know this?
1
Not at all
2
3
4
5
Perfectly
13
Q

Do the following conditions favour or disfavour complex

High H-bond acceptor and low H-bond donor

A

Unfavourable complex

How well did you know this?
1
Not at all
2
3
4
5
Perfectly
14
Q

Do the following conditions favour or disfavour complex

Low H-bond acceptor and high H-bond donor

A

Unfavourable complex

How well did you know this?
1
Not at all
2
3
4
5
Perfectly
15
Q

What is the main driving force for binding of a ligand to a protein?

A

Entropically favourable release of protein/ligand bound water

How well did you know this?
1
Not at all
2
3
4
5
Perfectly
16
Q

What happens to solvent interractions for salt bridge on a surface of a protein?

A

The interaction is strongly ‘damped out’ due to solvent competition

17
Q

What happens to solvent interractions for salt bridge in the interior of a protein?

A

Less accessible to water, far less solvent competition