Title

Docking study of HIV-1 reverse transcriptase with phytochemicals

Authors

Abhik Seal^1*, Riju Aykkal², Mriganka Ghosh³       

Affiliation

¹Doeacc Centre Kolkata (Jadavpur University Campus), Kolkata, West Bengal, India; ²Computer Programmer, Cantonment Board, Canannore, Kerala, India; ³Doeacc Centre Kolkata (Jadavpur University Campus), Kolkata, West Bengal, India;

Email

abhik1368@gmail.com; *Corresponding author

Article Type

Hypothesis

Date

Received August 29, 2010; Accepted October 22, 2010; Published February 15, 2011

Natural products are important sources of drug discovery. In this context groups of different set of phytochemicals were taken and docked into the different cavities of the Reverse transcriptase (PDB ID: 1REV) of Human immunodeficiency virus (HIV) and results were discussed. Natural compounds such as Curcumin, Geranin, Gallotannin, Tiliroside, Kaempferol-3-o-glucoside and Trachelogenin were found to very effective according to its binding energy and ligand efficiency score. Those compounds also were found to have no adverse effect as carcinogenicity and mutagenicity and favorable drug likeness score. Hence, considering the facts those compounds could use effectively for HIV-1 drug discovery.

Citation

Seal et al. Bioinformation 5(10): 430-439 (2011)

Edited by

A Cherkasov

ISSN

0973-2063

Publisher

Biomedical Informatics

License

This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.