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A QSAR Study on Some Series of HIV-1 Integrase Inhibitors

[ Vol. 7 , Issue. 6 ]

Author(s):

Shikha Kaushik, Satya P. Gupta, P. K. Sharma and Zaihra Anwar   Pages 553 - 560 ( 8 )

Abstract:


A quantitative structure-activity relationship (QSAR) study has been made on a series of 4-chloro-N-(4- oxopyrimidin-2-yl)-2-mercaptobenzenesulfonamides. The activities of the compounds were reported against 3'-processing and the strand transfer processes catalyzed by the enzyme HIV-1 integrase. By a multiple regression, the activity against 3'-processing is found to be significantly correlated with hydrophobic and surface tension properties of the molecules and that against strand transfer with only hydrophobic property of the molecules and an indicator variable. Thus the results indicate that the hydrophobic property of the molecule plays a crucial role in the inhibition of both the 3'-processing and the strand transfer processes. The surface tension of the molecule is also shown to have some effect on inhibition of 3'- processing.

Keywords:

QSAR, integrase inhibitors, 4-chloro-N-(4-oxopyrimidin-2-yl), 2-mercaptobenzenesulfonamides, enzyme HIV-1 integrase, multiple regression, hydrophobic, Immunodeficiency Syndrome, causative agent, drug resistance

Affiliation:

Department of Applied Sciences and Department of Pharmaceutical Technology, Meerut Institute of Engineering and Technology, Meerut-250005, India.



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