Quantitative Structure-Activity and PK Relationships

Question 1

Absorption

Answer 1

least important for PK profiles of UV-administered drugs

Question 2

Physicochemical parameters

Answer 2

structure-dependent molecular descriptors

• electronic effects: hammet constant
• lipophilicity (logP/logD)
• –> most useful and important parameter for activity and QSAR
• ionization (pKa)
• solubility
• steric effects

Question 3

Biological Properties ; activity and PK parameters

Answer 3

• PK related parameters
• PD related parameters

in drug design, QSAR/QSPkR provides theoretical basis for new and better structure design

Question 4

LogP–> Shake Flask Method

Answer 4

conventional experimental approach use for the determination of partition coefficients