Rajiv Gandhi University of Health Sciences, Karnataka

VIII Semester B. Pharm Degree Examination – 09-Jun-2023

Time: Three Hours Max. Marks: 75 Marks

COMPUTER AIDED DRUG DESIGN

Q.P. CODE: 5039
Your answers should be specific to the questions asked
Draw neat labeled diagrams wherever necessary
All the Questions are compulsory

LONG ESSAYS 2 x 10 = 20 Marks

1. What is docking? Explain the different types of docking and their applications.
OR
Explain in detail the lead discovery based on drug metabolism and clinical observation with
examples and structures.

2. Explain the concept of Quantitative – structure activity relationship (QSAR). Enlist the
different QSAR parameters.

SHORT ESSAYS 7 x 5 = 35 Marks

3. Write a note on Chemeinformatics.
OR
Explain serendipitous drug discovery with examples.

4. Explain about the molecular mechanics principles.

OR
Explain the approaches for de novo drug design.

5. Explain different methods in determination of energy minimization.

6. Explain Hansch analysis and give its applications.
7. Explain the pharmacophore based screening.
8. Write a note ADME database’s.
9. Discuss in brief various parameters of quantum mechanics.

SHORT ANSWERS 10 x 2 = 20 Marks

10. Write the application of molecular modelling.
11. Expand COMFA and COMSIA.
12. Define Lipinski’s rule of 5.
13. Enlist the various databases used in drug design.
14. What is CADD? Enlist the applications.
15. Define global and local minima.
16. Importance of partition coefficient in the drug action.
17. Applications of Free Wilson analysis.
18. Give the importance of biochemical database.
19. What is lead optimization?

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