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Reshmi, G. and Pillai, M. R (2009) Silico Screening of Novel Inhibitors for HPV: A Rational Structure Based Approach (Docking Versus Pharmacophore Model Generation). Letters in Drug Design & Discovery (LETT DRUG DES DISCOV), 6 (7). 494 - 501. ISSN 1570-1808

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The E2 protein from HPV 16 was selected as a molecular target and its known structures were exploited for broad scope of “hits” to be identified in the screening process. We compared both structure-based and ligand-based design approaches for virtual screening. Databases enriched in natural compounds were used for virtual screening based on mo- lecular docking. In this study, we identified novel classes of HPV inhibitors by means of a structure-based drug-design protocol involving Pharmacophore based virtual screening with molecular docking simulation.

Item Type: Article
Uncontrolled Keywords: HPV, TAD, Molecular docking, Pharmacophore model, Virtual screening, GOLD.
Subjects: Cancer Research
Depositing User: Rgcb Library
Date Deposited: 30 Oct 2019 12:09
Last Modified: 30 Oct 2019 12:09
URI: http://rgcb.sciencecentral.in/id/eprint/897

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