M pharm 1st year 2 semester drug discovery pharmacology

1. Quantitative Analysis Of Structure
Activity Relationship (QSAR)
 Submitted to :prof.mandade sir Submitted by: jamdade sonali lala
 Pharmacology department M pharm 1st year pharmacology
 Sudhakar Rao Naik Institute Of Pharmacy pusad.

2. Content
 Introduction
 History
 Development of QSAR
 SAR vs QSAR
 Physicochemical parameters
 Hansch analysis
 Fee wils analysis.

3. What is QSAR ?
 A QSAR is a mathematical relationship between Biological
activity Of a molecular system And its Geometric and
chemical characteristics.

9. Physicochemical parameter.
1.lipophilic parameters: partition
coefficient, pi substitution constant
2. Electronic parameters: Hammet constant,
dipole moment.
3. steric parameters: Tafts constant, molar
refractivity , verloop steric parameter.

13. Hansch Analysis .
For the past few decade scientist used a
random drug discovery process which takes
15-20 years to develop a drug candidate
with huge expenditure along with high man
power. But now a days drug discovery
process is advanced by adopting several
scientific and mathematical logic.
The rational drug discovery approach
adopts various parameters to predict the
biological responses with the avilable
literature such as physicochemical
properties.

14. The disciplin QSAR was initiated by prof. Corwin Hansch in 1962. He Said the
foundation of QSAR by three important contribution i.e.
1. combination of several physicochemical parameter in one regression equation.
2. definition of lipophilic parameter.
3 formulation of the parabolic model for non linear lipophilicity- bioactivity
relationship.
Hansch and Fujita combined different physicochemical parameters in one
equation .
Log 1/C=k1 log P + k2 sigma +K3
these equation is known as hansch euation.
Where ,c- molar concn.
K1,k2,k3 – coefficients determined by least squares procedure.
For in vivo parabolic lipophilicity values in included in above equation, hence it
becomes
log 1/c=-k1 (log P)2 +k2 log P + k3 Sigma + k4

18. Application