Rajiv Gandhi University of Health Sciences, Karnataka
Second Semester M. Pharm Degree Examination - 03-Jun-2023
Time: Three Hours Max. Marks: 75 Marks
COMPUTER AIDED DRUG DESIGN
Q.P. CODE: 5159
Your answers should be specific to the questions asked.
Draw neat, labeled diagrams wherever necessary.
Answer All The Questions 10 X 7.5 = 75 Marks
1. List out the computational Protein-Ligand Docking techniques and explain any one.
2. Write notes on Conformational analysis and Virtual Screening Techniques.
3. Add a note on In silico De Novo design and Fragment based drug design.
4. Write a note on Free Wilson Analysis and Hansch analysis.
5. Explain the relationship between physical properties and biological activity by using Hammett
and Taft equations.
6. Write about any three statistical methods for the analysis of QSAR.
7. Explain how do you predict receptor or enzyme cavity size.
8. Explain various methods involved in the pharmacophore mapping.
9. Discuss the effect of electronic parameters in lipophilicity.
10. Write a note on agents acting on choline esterase enzymes with suitable examples.
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Rajiv Gandhi University of Health Sciences, Karnataka
Second Semester M. Pharm Degree Examination - 07-Nov-2023
Time: Three Hours Max. Marks: 75 Marks
COMPUTER AIDED DRUG DESIGN
Q.P. CODE: 5159
Your answers should be specific to the questions asked.
Draw neat, labeled diagrams wherever necessary.
Answer All The Questions 10 X 7.5 = 75 Marks
1. Define pharmacophore. Explain the concept and various methods involved in pharmacophore
mapping.
2. Give an account of various protein-ligand docking techniques and their importance in drug
discovery.
3. Write a note on History and development of QSAR.
4. Explain the various methods used for calculation of physico chemical parameter.
5. Explain Hansch analysis and write a note on relationship between Hansch and Free Wilson
analysis.
6. Write a note on HIV protease inhibitors. Give the MOA of HIV protease inhibitors. Give
examples.
7. Write a note on Energy minimization methods and explain global minimization methods.
8. Write a note on Hammett equation and taft steric constant.
9. Write a note on different 3D-QSAR approaches and explain COMFA methods.
10. Write a note on fragment-based drug design and virtual screening.
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Rajiv Gandhi University of Health Sciences, Karnataka
Second Semester M. Pharm Degree Examination - 22-Nov-2022
Time: Three Hours Max. Marks: 75 Marks
COMPUTER AIDED DRUG DESIGN
Q.P. CODE: 5159
Your answers should be specific to the questions asked.
Draw neat, labeled diagrams wherever necessary.
Answer All The Questions 10 X 7.5 = 75 Marks
1. Enumerate and explain different Protein-Ligand Docking techniques.
2. What is a pharmacophore? Explain a method for identification of a pharmacophore? Write a
note on pharmacophore mapping.
3. Explain homology modeling and generation of 3D-Structure of protein.
4. How will you explain relationship between physical properties and biological activity by using
Hammett and Taft equations?
5. Discuss Free-Wilson analysis and Hansch analysis.
6. Discuss various 3D QSAR methods used in drug design.
7. Write a note on HIV protease inhibitors. Give their mechanism of action with examples.
8. Explain in detail about Fragment based drug design.
9. Write a note on analysis of ADMET properties and its importance in drug design.
10. Explain Virtual Screening techniques used in drug design.
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Rajiv Gandhi University of Health Sciences, Karnataka
Second Semester M. Pharm Degree Examination - 25-Jul-2022
Time: Three Hours Max. Marks: 75 Marks
COMPUTER AIDED DRUG DESIGN
Q.P. CODE: 5159
Your answers should be specific to the questions asked.
Draw neat, labeled diagrams wherever necessary.
Answer All The Questions 10 X 7.5 = 75 Marks
1. Explain any three physicochemical parameters involved in the study of Quantitative
structure activity relationship (QSAR).
2. Explain various statistics involved in QSAR analysis.
3. Briefly explain Craig plot.
4. Compare advantages and disadvantages of Hansch and Free Wilson analysis.
5. Distinguish between Rigid docking, Flexible docking and Extra precision docking.
6. Explain briefly about the molecular modeling approaches in the discovery of DHFR and
HIV protease inhibitors.
7. Explain homology modeling and the method adopted for the generation of the 3D
structure of a protein.
8. Write a short note on fragment based de novo drug design.
9. Discuss in detail about virtual screening techniques.
10. Discuss the important aspect of pharmacophore modeling.
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Rajiv Gandhi University of Health Sciences, Karnataka
Second Semester M. Pharm Degree Examination - 18-Nov-2021
Time: Three Hours Max. Marks: 75 Marks
COMPUTER AIDED DRUG DESIGN
Q.P. CODE: 5159
Your answers should be specific to the questions asked
Draw neat, labeled diagrams wherever necessary
Answer All The Questions 10 X 7.5 = 75 Marks
1. Discuss the effect of substituents on log P and Hammett constant with a suitable examples
2. Enlist various 3D – QSAR approaches. Elaborate on any one method with example
3. Explain Hansch analysis and free Wilson analysis with a suitable example
4. Enlist the various receptor-ligand interactions. Explain how the enzyme cavity size can be
predicted?
5. Explain the molecular docking methods for the drugs acting on DHFR and HIV protease
enzymes with a suitable example
6. Explain the method of generation of 3D-structure of a protein. Write the importance of
homology modeling of a protein
7. Explain the concept of fragment based drug design with a suitable example
8. Write a note on prediction and analysis of ADMET properties of new molecules
9. Explain the concept of pharmacophore mapping technique with example
10. Enlist the various steps used in virtual screening techniques. Explain the structure based
virtual screening method
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Rajiv Gandhi University of Health Sciences, Karnataka
Second Semester M. Pharm Degree Examination - 24-Mar-2021
Time: Three Hours Max. Marks: 75 Marks
COMPUTER AIDED DRUG DESIGN
Q.P. CODE: 5159
Your answers should be specific to the questions asked.
Draw neat, labeled diagrams wherever necessary.
Answer All The Questions 10 X 7.5 = 75 Marks
1. Explain the historical development of QSAR. Write the effect of Hydrogen bonding and
partition c-efficient on biological activity.
2. Define docking. Explain different types of docking in detail.
3. Explain the concept pharmacophore and pharmacophore modeling.
4. Explain in detail about Taft steric and MR parameters.
5. Discuss the Hansch analysis and give its applications.
6. Explain the role of molecular mechanics in drug design?
7. Discuss the inhibitors of HIV protease enzyme with suitable examples.
8. Write a note on fragment-based drug design and ligand based drug design.
9. Explain the homology modeling and generation of 3D structure of proteins.
10. Explain the different techniques of virtual screening.
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