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GUJARAT TECHNOLOGICAL UNIVERSITY
B. Pharm. - SEMESTER-8 EXAMINATION — SUMMER -2018
Subject Code: 2280006 Date: 09/05/2018
Subject Name: Computer Applications in drug discovery
Time: 10:30 AM TO 01:30 PM Total Marks: 80
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Instructions:
- Attempt any five questions.
- Make suitable assumptions wherever necessary.
- Figures to the right indicate full marks.
- (a) What do you mean by force field? Describe various methods for energy minimization. (06)
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(b) What is compound library filters? Explain it. (05)
(c) Discuss potentials of in silico toxicology. (05) - (a) Write a note on Pharmacophore mapping (06)
(b) Discuss about Consensus — scoring function. (05)
(c) Explain in detail molecular dynamics — based detection in SBDD. (05) - (a) Describe multi target inhibitors using common pharmacophore models. (06)
(b) Write a note on high resolution docking. (05)
(c) Discuss about Monte Carlo Search with metropolis criterion. (05) - (a) Write a note on drug discovery process. Give importance of drug design. (06)
(b) Write in detail about COMFA and COMSIA Methods of QSAR. (05)--- Content provided by FirstRanker.com ---
(c) Write a note on ligand databases for CADD. (05) - (a) Enlist methods to identify protein binding sites and explain any one in detail. (06)
(b) Write a short note on multidimensional QSAR in drug discovery. (05)
(c) Explain in brief linear regression method in QSAR models. (05) - (a) Explain in detail 3D description of molecular configuration and conformation in ligand based CADD. (06)
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(b) Write a note on InChIKey- the [IUPAC International Chemical Identifier. (05)
(c) Explain role of octanol / water partition coefficient and polarizability as a molecular descriptors in ligand based CADD (05) - (a) What is pharmacophore? Explain in brief molecular superimposition in pharmacophore mapping. (06)
(b) Write a note on Receptor — dependent 3D/4D QSAR. (05)
(c) Discuss about Knowledge based scoring function. (05)
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