Research Article
Docking Studies of HIV-1 Protease with Phytochemicals from Mappia foetida
|
International Journal of Computer Applications
Foundation of Computer Science (FCS), NY, USA
|
| Volume 43 - Issue 4 |
| Published: April 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 },
year = { 2012 },
volume = { 43 },
number = { 4 },
pages = { 16-22 },
doi = { 10.5120/6091-8272 },
publisher = { Foundation of Computer Science (FCS), NY, USA }
}
%0 Journal Article
%D 2012
%A M. Ramalingam
%A S. Karthikeyan
%A D. Suresh Kumar
%T Docking Studies of HIV-1 Protease with Phytochemicals from Mappia foetida%T
%J International Journal of Computer Applications
%V 43
%N 4
%P 16-22
%R 10.5120/6091-8272
%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.
References
- Weiss RA (1993), "How does HIV cause AIDS", Science, 260: 1273-9.
- Douek DC, Roederer M, Koup RA (2009), "Emerging concepts in the immunopathogenesis of AIDS", Annual Rev Med. , 60: 471.
- Mriganka Ghosh et al (2011), "Docking study of HIV-1 reverse transcriptase with phytochemicals", Bioinformation, 5: 430-439.
- Sanjay K (2010), "Gene (HIV-1 protease) based drug (inhibitor) Discovery", Journal of Advanced Bioinformatics Applications and Research, 1:17-26.
- Ashraf Brik and Chi-Huey Wong (2003), "HIV-1 protease: mechanism and drug discovery", Org. Biomol. Chem. , 1: 5–14.
- Bombardelli et al (1996), "Alkaloids from Mappia foetida, the use therefore and formulations containing them", United States patent, Patent number 5,525,609.
- RasWin Molecular Graphics (http://www. rasmol. org/) Windows version 2. 7. 5. 2.
- Thompson & A. Mark "ArgusLab 4. 0. 1" (www. arguslab. com) Planaria Software LLC, Seattle, WA.
- Q-SiteFinder Ligand Binding Site Prediction [http://www. modelling. leeds. ac. uk/qsitefinder/]
- G. O. Ajayi et al (2011), "Gas chromatography-mass spectrometry analysis and phytochemical screening of ethanolic root extract of Plumbago zeylanica, Linn. ", Journal of Medicinal Plants Research, 5:1756-1761.
- Open Babel [http://openbabel. org/wiki/Main_Page]
- PreADMET server [http://preadmet. bmdrc. org/]
Index Terms
Keywords