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Virtual Screening of Novel HIV-RT Inhibitors using Zinc Database

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International Journal of Computer Applications
© 2013 by IJCA Journal
Volume 66 - Number 2
Year of Publication: 2013
Authors:
P. V. R. D. Prasada Rao
K. Lakshmi Sunitha
K. Srinivas
A. Govardhan
10.5120/11053-5951

Prasada P V R D Rao, Lakshmi K Sunitha, K Srinivas and A Govardhan. Article: Virtual Screening of Novel HIV-RT Inhibitors using Zinc Database. International Journal of Computer Applications 66(2):1-7, March 2013. Full text available. BibTeX

@article{key:article,
	author = {P. V. R. D. Prasada Rao and K. Lakshmi Sunitha and K. Srinivas and A. Govardhan},
	title = {Article: Virtual Screening of Novel HIV-RT Inhibitors using Zinc Database},
	journal = {International Journal of Computer Applications},
	year = {2013},
	volume = {66},
	number = {2},
	pages = {1-7},
	month = {March},
	note = {Full text available}
}

Abstract

HIV–1 (human immunodeficiency virus type–1) is the pathogenic retrovirus and causative agent of AIDS, When viral RNA is translated into a polypeptide sequence, it is assembled in a long polypeptide chain, which includes several individual proteins namely, reverse transcriptase, protease, integrase, etc. Before these enzymes become functional they have to be cut from polypeptide chain, The dipyrido diazepinone Nevirapine is a potent and highly specific inhibitor of the reverse transcriptase (RT) from human immunodeficiency virus type 1 (HIV-1). In this paper, we implemented better than existing system by virtual screening analysis of HIV-RT from PDB database versus chemical compounds from ZINC database using eHiTS software. Using molecular constraint search, 884 ligands were extracted and docking analysis resulted in 59 best hits.

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