Download GTU B.Pharma 2018 Summer 8th Sem 2280006 Computer Applications In Drug Discovery Question Paper

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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:

1. Attempt any five questions.
2. Make suitable assumptions wherever necessary.
3. Figures to the right indicate full marks.

1. (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)
2. (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)

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3. (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)
4. (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)
   

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   (c) Write a note on ligand databases for CADD. (05)
5. (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)
6. (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)
7. (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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