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Reseach 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 - 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
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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