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IN-SILICO ANALYSIS OF QUINOXALINE LIGAND CONFORMATIONS ON 2BB9: HIV-1 PROTEASE

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Author(s): ARUNKUMAR V.A. | KESHAV MOHAN

Journal: International Journal of Drug Discovery
ISSN 0975-4423

Volume: 4;
Issue: 2;
Start page: 169;
Date: 2012;
Original page

Keywords: protease | virion | HIV PR | precursor | quinoxaline

ABSTRACT
HIV-1 protease (HIV PR) is an essential enzyme needed in the proper assembly and maturation of infectious virions. HIV PR catalyses proteolytic cleavage of the polypeptide precursors into mature enzymes and structural proteins which is a critical step in the life cycle of HIV. The necessity of this enzyme in the virus life cycle makes it a promising target for therapy of the HIV infection. In order to discover potential inhibitors of HIV PR, structure based virtual screening was performed using crystal structure of the protein obtained from PDB (2BB9). 46 Quinoxaline analogues were docked with 2BB9 and the highly interacting compounds based on their binding energies are reported here.
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