Seat No.: Enrolment No.
GUJARAT TECHNOLOGICAL UNIVERSITY
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B.PHARM - SEMESTER - 8- EXAMINATION ~WINTER - 2018
Subject Code: 2280006 Date: 28/11/2018
Subject Name: Computer Applications in drug discovery
Time: 02:30 PM TO 05:30 PM Total Marks: 80
Instructions:
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- Attempt any five questions.
- Make Suitable assumptions wherever necessary.
- Figures to the right indicate full marks.
Q.1 (a) Define ligand based CADD. Enumerate its features and explain binary 06 molecular fingerprints in detail.
(b) Write a note on dynamic pharmacophore model. 05
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(c) What are docking? Describe various docking methods. 05
Q.2 (a) Explain how comparative modeling method used for preparation of a target 06 structure for SBDD.
(b) Write a note on knowledge based scoring function and consensus scoring 05 function.
(c) Explain genetic algorithms in SBDD 05
Q.3 (a) Write a note on multidimensional QSAR. 06
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(b) Discuss on Toxicity Prediction software packages. 05
(c) Define force field and describe various methods for energy minimization. 05
Q.4 (a) Describe application of QSAR in ligand based CADD. 06
(b) Write in detail about COMFA and COMSIA methods of QSAR. 05
(c) Explain about linear regression methods. 05
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Q.5 (a) Write a note on pharmacophore algorithms and software packages. 06
(b) Explain how ligand libraries were prepared for CADD? 05
(c) Describe about the target data bases for computer aided drug design in detail. 05
Q.6 (a) Enumerate different approaches for binding site detection and characterization 06 in SBDD and explain any one in detail.
(b) Write down prediction of ADME in detail. 05
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(c) Explain about 3D description of molecular configuration and conformation. 05
Q.7 (a) Explain in detail about SBVS. 06
(b) Write a note on high resolution docking. 05
(c) Write a note on importance of various drug design approaches in drug 05 discovery.
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