NDLI: Computational analysis of amprenavir resistance triple mutant (V32I, I47V and V82I) in HIV-1 protease

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Computational analysis of amprenavir resistance triple mutant (V32I, I47V and V82I) in HIV-1 protease

Content Provider	Springer Nature Link
Author	Karthick, V. Pratik, Upadhyay Dhanasekaran, D. Shanthi, V. Ramanathan, K.
Copyright Year	2014
Abstract	Amprenavir is an HIV-1 protease inhibitor (PI) that has recently been approved for the treatment HIV/AIDS. Despite its outstanding safety and efficacy, site-specific mutations occurring at one or more residues in HIV-1 protease have caused the development of resistance to PI. Unfortunately, a comprehensive understanding of the resistance mechanisms is still lacking. Therefore, the present investigation aims to uncover the mechanism behind the resistance for amprenavir to HIV-1 protease triple mutant (V32I, I47V and V82I) by computational techniques. We have also highlighted the effect of mutations on the binding site residues and flap comprising residues in the HIV-1 protease by means of flexibility analysis. Molecular dockings were performed to gain insights into the binding mode of the amprenavir with HIV-1 protease structure. Subsequently, the docking results were also validated by means of PEARLS program. The obtained results provide a detailed explanation of the resistance caused by triple mutant (V32I, I47V and V82I) and may give imperative clue for the design of drugs to combat amprenavir resistance.
Starting Page	1
Ending Page	8
Page Count	8
File Format	PDF
ISSN	21926662
Journal	Network Modeling Analysis in Health Informatics and Bioinformatics
Volume Number	3
Issue Number	1
e-ISSN	21926670
Language	English
Publisher	Springer Vienna
Publisher Date	2014-01-22
Publisher Place	Vienna
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Computational Biology/Bioinformatics Amprenavir resistance PEARLS Normal mode analysis Complex Networks Health Informatics HIV-1 protease Bioinformatics Molecular docking
Content Type	Text
Resource Type	Article
Subject	Urology

Sl.	Authority	Responsibilities	Communication Details
1	Ministry of Education (GoI), Department of Higher Education	Sanctioning Authority	https://www.education.gov.in/ict-initiatives
2	Indian Institute of Technology Kharagpur	Host Institute of the Project: The host institute of the project is responsible for providing infrastructure support and hosting the project	https://www.iitkgp.ac.in
3	National Digital Library of India Office, Indian Institute of Technology Kharagpur	The administrative and infrastructural headquarters of the project	Dr. B. Sutradhar bsutra@ndl.gov.in
4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
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9	IDR Setup or Support	Queries related to establishment and support of Institutional Digital Repository (IDR) and IDR workshops	idr@ndl.gov.in

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Computational analysis of amprenavir resistance triple mutant (V32I, I47V and V82I) in HIV-1 protease

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