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Docking Studies of HIV-1 Protease with Phytochemicals from Mappia foetida

by M. Ramalingam, S. Karthikeyan, D. Suresh Kumar
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International Journal of Computer Applications
Foundation of Computer Science (FCS), NY, USA
Volume 43 - Number 4
Year of Publication: 2012
Authors: M. Ramalingam, S. Karthikeyan, D. Suresh Kumar
10.5120/6091-8272

M. Ramalingam, S. Karthikeyan, D. Suresh Kumar . Docking Studies of HIV-1 Protease with Phytochemicals from Mappia foetida. International Journal of Computer Applications. 43, 4 ( April 2012), 16-22. DOI=10.5120/6091-8272

@article{ 10.5120/6091-8272,
author = { M. Ramalingam, S. Karthikeyan, D. Suresh Kumar },
title = { Docking Studies of HIV-1 Protease with Phytochemicals from Mappia foetida },
journal = { International Journal of Computer Applications },
issue_date = { April 2012 },
volume = { 43 },
number = { 4 },
month = { April },
year = { 2012 },
issn = { 0975-8887 },
pages = { 16-22 },
numpages = {9},
url = { https://ijcaonline.org/archives/volume43/number4/6091-8272/ },
doi = { 10.5120/6091-8272 },
publisher = {Foundation of Computer Science (FCS), NY, USA},
address = {New York, USA}
}
%0 Journal Article
%1 2024-02-06T20:32:31.713251+05:30
%A M. Ramalingam
%A S. Karthikeyan
%A D. Suresh Kumar
%T Docking Studies of HIV-1 Protease with Phytochemicals from Mappia foetida
%J International Journal of Computer Applications
%@ 0975-8887
%V 43
%N 4
%P 16-22
%D 2012
%I Foundation of Computer Science (FCS), NY, USA
Abstract

Human immunodeficiency virus type 1 protease (HIV-1 PR) is an essential enzyme for the replication cycle of HIV. HIV-1 PR inhibitors have been extensively investigated as anti-AIDS drugs. In the presence of HIV-1 protease inhibitors, the virion is unable to mature. Natural compounds are important sources of drugs. The present investigation concentrates on discovering anti-HIV compounds that are present in Mappia foetida, a medicinal plant belonging to Icacinaceae family. Here, we selected Phytochemicals of Mappia foetida- Root identified by the method of Gas chromatography–mass spectrometry (GC-MS Method) to dock against the enzyme HIV-1 protease (PDB ID: 3HAU). The resulted enzyme-substrate interaction energies shows that those compounds are active against HIV-1 protease and further research on plant Mappia foetida will be useful in drug designing against HIV.

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Index Terms

Computer Science
Information Sciences

Keywords

Hiv-1 Protease Phytochemicals Mappia Foetida Drug Designing Applications Of Computer Science

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