Molecular insights of protein contour recognition with ligand pharmacophoric sites through combinatorial library design and MD simulation in validating HTLV-1 PR inhibitors-Reference-Cited by-同舟云学术

Molecular insights of protein contour recognition with ligand pharmacophoric sites through combinatorial library design and MD simulation in validating HTLV-1 PR inhibitors

Published:2015 Issue:1 Volume:11 Page:178-189
ISSN:1742-206X
Container-title:Molecular BioSystems
language:en
Short-container-title:Mol. BioSyst.

Author:

Selvaraj Chandrabose¹²³⁴⁵,Omer Ankur⁶⁷⁸⁹¹⁰,Singh Poonam⁶⁷⁸⁹¹⁰,Singh Sanjeev Kumar¹²³⁴⁵

Affiliation:

1. Computer Aided Drug Design and Molecular Modeling Lab

2. Department of Bioinformatics

3. Science Block

4. Alagappa University

5. Karaikudi-630004

6. Toxicology Division

7. CSIR-Central Drug Research Institute

8. Lucknow-226 031

9. India

10. Academy of Scientific & Innovative Research (AcSIR)

Abstract

The domino effect illustrates that libraries of purvalanol-A are attuned to fill the allosteric binding site of HTLV-1 PR through molecular recognition and shows proper binding of ligand pharmacophoric features in receptor contours.

Funder

Council of Scientific and Industrial Research

Publisher

Royal Society of Chemistry (RSC)

Subject

Molecular Biology,Biotechnology

Link

http://pubs.rsc.org/en/content/articlepdf/2015/MB/C4MB00486H

Reference52 articles.

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3. Viruses and lymphoma/leukaemia