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QSAR study on some arylsulfonamides as anti-HIV agents

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Abstract

In pursuit of better anti-HIV drugs, quantitative structure-activity relationship (QSAR) studies were performed on a series of aryl sulfonamide HIV protease inhibitors using Win CAChe 6.1. Multiple linear regression analysis was performed to derive QSAR models, which were further evaluated for statistical significance and predictive power by internal and external validation. The QSAR model indicates that the thermodynamic descriptors (heat of formation, log P, and molar refractivity) and steric descriptor (solvent assessable surface area) play an important role for the anti-HIV activity. The results of the present study may be useful on the designing of more potent anti-HIV agents.

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Acknowledgments

One of the authors (VR) is thankful to AICTE, New Delhi for providing a (QIP) fellowship and the authors would like to thank Mr. Nowley of the Government College of Pharmacy, Auranagabad, India for his valuable help.

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Correspondence to Ram Kishore Agrawal.

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Ravichandran, V., Jain, P.K., Mourya, V.K. et al. QSAR study on some arylsulfonamides as anti-HIV agents. Med Chem Res 16, 342–351 (2007). https://doi.org/10.1007/s00044-007-9034-7

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  • DOI: https://doi.org/10.1007/s00044-007-9034-7

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