Strucutre Activity Relationships Flashcards
What is the use of SARS
After lead compound is identified, strucutre activity relationships are studies to help optimise on target activity and to minimise off target toxicity
What is needed for a pharmacophore
Benzene ring
Group at 3 position of the ring is tolerated
Electron donating group at the three position
Carbonyl
NH2 is important
What happens to pharmacophore i there is a electron withdrawing group
Activity of pharmacophore is less
How do drugs bind to target proteins
Hydrogen bonding
Ionic reactions
Van der waals attractions
Hydrophobic reaction
Pie stacking
What is hydrogen bonding
Weak covalent like bonding between a electron negative atom and a nearby hydrogen covalently bonded to an electronegative atom
What role does oxygen have in hydrogen bonding
Oxygen is the hydrogen bond acceptor - a electronegative atom with a long pair of electrons that accepts a hydrogen
What are ionic interactions
Electrostatic attraction tween ions of different chargers
Usually between charged bits of the molecule
Do positive and positive attract
No only positive and negative attract in ion if interactions
What are an der waals attractions
All atoms are attracted to eachother - any bit of molecule will stick to another molecule such as a target
What is bad about van der waals attractions
Very weak individual forces
Very weak bonds
How much strength does ionic interweaction make of a covalent bond
5-25%
What is the strength of the covalent bod of a hydrogen bond
1-10%
What makes van der waals attraction good
They only work if drug fits into binding site smugly as it creates a lot f van der waals interactions
More surface contact = interactions
No surface contact = no interactions
What are hydrophobic interactions
Where drug has to be in a hydrophobic pocket before water fills it to create interactions
What is pie stacking
Two benzene rings with two bonding pieces electrons come face to face and attraction occurs
