Seat No.: Enrolment No.
GUJARAT TECHNOLOGICAL UNIVERSITY
B.PHARM SEMESTER-VIII • EXAMINATION SUMMER-2017
Subject Code: 2280006 Date: 09/05/2017
Subject Name: Computer Applications in drug discovery
Time: 10:30 AM to 01:30 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 brief note on importance of drug design approaches in drug discovery.
06

Explain in brief pharmacophore model based on virtual screening.
05

Write a short note on multi target inhibitors using pharmacophore model.
05
Q.2

Explain in details high resolution protein docking.
06

Give a brief account of dynamic pharmacophore models.
05

What is structure based virtual high throughput screening?
05
Q.3

Write a short note on genetic algorithms in protein legand docking.
06

Enumerate scoring functions for evaluation of protein ligand complexes. Explain any one in details.
05

Explain in details representation of small molecules as "SMILES" in ligand databases for CADD.
05
Q.4

Enlist methods to identify protein binding sites and explain any one in detail.
06

Write a short note on comparative modeling in structure based CADD.
05

Write a short note on protein-ligand docking in drug design.
05
Q.5

Explain in detail 2D description of molecular constitution as molecular descriptor in ligand based CADD.
06

Write a short note on multidimensional QSAR in drug discovery.
05

Explain in brief linear regression method in QSAR models.
05
Q. 6

What is pharamacophore? Explain in brief molecular superimposition in pharmacophore mapping.
06

Explain in brief binary molecular fingerprints as molecular descriptors in ligand based CADD.
05

Explain in detail pocket matching in structure based CADD.
05
Q.7

Explain in brief human ether-a-go-go related gene potassium channel inhibition.
06

What is toxicity prediction software package? Explain it.
05

What is compound library filters? Explain it.
05