Seat No.: Enrolment
GUJARAT TECHNOLOGICAL UNIVERSITY
B. Pharm. SEMESTER VIII • EXAMINATION WINTER • 2016
Subject Code: 2280006 Date: 02-12-2016
Subject Name: Computer Applications in Drug Discovery
Time: 02:30 pm 05:30 pm Total Marks: 80
Instructions:
1. Attempt any five questions.
2. Make suitable assumptions wherever necessary.
3. Figures to the right indicate full marks.
Q.1

Write a note on drug discovery process. Give importance of drug design.
06

Write down Predication of ADME in details.
05

Explain about genetic algorithms in SBDD.
05
Q.2

What are the different approaches for new drug discovery? Discuss in brief about each.
06

What is docking? Describe various docking methods.
05

Write in detail about COMFA and COMSIA methods of QSAR.
05
Q.3

Explain about QSAR. Discuss various QSAR parameters.
06

Write down steps in Comparative Modeling.
05

Write down applications of Molecular Dynamics simulations in drug design.
05
Q.4

Write a note on Structure-Based Virtual High-Throughput Screening.
06

Write about Binary molecular fingerprints.
05

Discuss about Knowledge based Scoring method.
05
Q.5

Define Pharmacophore modeling. Write advances, limitations and current application in drug discovery.
06

Describe about the target data bases for computer-aided drug design in details.
05

Explain about 3D Description of molecular configuration and conformation.
05
Q. 6

Write a note on Pharmacophore mapping.
06

How to select optimum features in ligand based computer aided drug design?
05

What do you mean by force field? Describe various methods for energy minimization.
05
Q.7

Discuss on Toxicity Prediction Software Packages and Algorithms.
06

Write a note on Ligand databases for Computer-Aided drug design.
05

How target structure is derived? How can we determine binding site in the target?
05