Jaypee Institute of Information Technology (JIIT) 2008 B.E Test 3 : High Throughput Screening Techniques - Question Paper

JAYPEE UNIVERSITY OF INFORMATION TECHNOLOGY

WAKNAGHAT. SOLAN. H P.

TEST- III, NOVEMBER 2008 SEMESTER VII

COURSE CODE: 07B72BI406    MAXM. TIME: 1.30 HRS.

COURSE NAME: HIGHTHROUGHPUT SCREENING TECHNIQUES

COURSE CREDIT: 3_MAXM MARKS: 30

Answer all the questions. Each question carries equal marks

1.    Discuss the variable circle and histogram image segmentation algorithms for extraction of pixels that form pan of the feature on the microarray image. Which algorithm will give better result and why?    (6)

2.    Discuss the various steps of k-Mcans clustering. How you con choose the initial k-valuc and validate k-Mcans clustering?    (6)

3 Form the following given data set calculate the p(C$o of the drug molecules and q2 value.

Drugs Expt. pICjo <Uele> kcal'mol <Uvdw> kcal/mol <Ucav-> kcal/mol 1 1.92 11.71 -41.39 3.84 2 2.00 12.36 -41.97 4.31 3 2.00 12.04 -44.68 4.17 4 10.20 10.55 -52.46 3.84

Uele, Uvdw and Ucav energy terms represents the ensemble average of the energy terms calculated as the difference between bound and free state of ligands and its environment. You can assume the following value of the constants: a = -CM 41. P * -0.0926. y * -I 07. R 0.001987 kcal/moL T = 298 K.    (6)

What do you mean by ligand based 3D QSAR for high throughput screening of ihe lead molecules. Write the protocols for developing 3D QSAR equation for prediction of plCso based on:

(a)    Pharmacophore based QSAR and    (6)

(b)    Molecular descriptors.

In recently sequenced bacterial genomes you will be assigned a task to predict the total enzymes from the complete protcome and classify them into 6 major classes and further subclasses. Design a suitable protocol with schematic diagram for vour prediction model

(6)

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Earning:   Approval pending.