FACULTY OF PHARMACY
M.Pharmacy (Pharmaceutical Chemistry) II-Semester (Main)
Examination, August 2018
Subject: Computer Aided Drug Design
Time: 3 Hours Max. Marks: 75
Note: Answer any Five questions. All questions carry equal marks
1. Discuss about Substituent Hydrophobicity constant, Hammet constant and Taft
steric constant
Give a hypothetical Hansch equation for compounds with higher log p Values and
explain each term
2. Enumerate the steps involved in 3D QSAR studies to predict the biological
activity
Write the advantages of Free Wilson analysis
3. Write a note on molecular mechanics
Discuss about the importance of energy minimization in molecular modeling
4. Explain about various docking methods and write their advantages
Discuss about Knowledge based and Consensus scoring techniques in docking
5. What is homology modeling and enumerate steps involved in homology modeling
Write a short note on de novo drug design
6. Write a short note on
Drug likeness screening
Pharmacophore based virtual screening
7. Explain the techniques to predict the active site of a receptor in denovo drug
design
Explain, how new DHFR inhibitors are designed using molecular docking?
8. Write a short note on
Requirements to perform QSAR studies with suitable example
Statistical methods used in QSAR