Download AKTU B-Tech 7th Sem 2015-2016 MOLECULAR MODELING DRUG DESIGN EBT 041 (1) Question Paper

Download AKTU (Dr. A.P.J. Abdul Kalam Technical University (AKTU), formerly Uttar Pradesh Technical University (UPTU) B-Tech 7th Semester (Seventh Semester) 2015-2016 MOLECULAR MODELING DRUG DESIGN EBT 041 (1) Question Paper

Printed Pages : 3 469 _EBT-041
(Following Paper ID and Roll N 0. to be ?lled in your
Answer Book)
Roll No.
B.Tech.
(SEM. V11) THEORY EXAMINATION, 2015-16
MOLECULAR MODELING & DRUG DESIGN
[Time : 3 hours] [MaximumMarks : 100]
Section-A
l. Attempt all sections. All sections carry equal marks.
Write answer to each parts in short. (10X2=20) -
(a) What is prodrug?
(b) In the conformational analysis of a structure,
illustrate local minimum, global minimum and
transition state conformations.
(c) What is meant by docking?
(d) What is the value of correlation coef?cient for a '
perfect ?t?
(6) What does a negative value of 0' Giammett Sigma
constant) signify for a substituent?
200 (1) p.10.

Attempt any ?ve questions from this section. (10X5=50) ?
2.
3.
200
(D What is meant 13y energy minimization in
computational chemistry?
(g) Expand the acrony, COMFA and name the
parameters used therein. ' ? '
(h) Explain what is ?primary structure? and ?secondary
structure? of a protein.
(i) Hansch?s QSAR equation is called'a linear free-
energy relationship?why?
(j) Molar refractivity (MR) is one of the originally
proposed parameters of Lipinski?s rule of ?ve 4
True or False?
Section-B
What is de novo drug design?
What is a 3D QSAR study? How it differs from a 2D
QSAR study? ;
What is homology modeling?
. Write a short note on intermolecular interactions.
Identify them in the descending order ofintermolecular
forces.
(2) ? EBT?041
. v
.w, /
Attempt any two of the following :
10?
11.
12.
200
What is the difference between quantum mechanics and
molecular mechanics?
What is ADMET?
Write about Free?Wilson approach in QSAR.
What is Monte-Carlo simulation?
Section-C
(2 x 15:30)
Explain the role of structure based drug design in drug
discovery program
What is molecular dynamics? Elaborate its application.
Write notes on three different conformational Search
algorithms. }
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(3) ' EBT?041
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