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Title

 

 

 

 

Docking study of HIV-1 reverse transcriptase with phytochemicals

Authors

Abhik Seal1*, 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

Abstract

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

 

Copyright

Publisher

 

Copyright Transfer Agreement

The authors of published articles in Bioinformation automatically transfer the copyright to the publisher upon formal acceptance. However, the authors reserve right to use the information contained in the article for non commercial purposes.

 

License

This is an open-access article, which permits unrestricted use, distribution, and reproduction in any medium, for non-commercial purposes, provided the original author and source are credited.