QSAR study on some arylsulfonamides as anti-HIV agents

被引:1
作者
Veerasamy Ravichandran
Prateek Kumar Jain
Vishnu Kant Mourya
Ram Kishore Agrawal
机构
[1] Dr. H. S. Gour Vishwavidyalaya,Pharmaceutical Chemistry Research Laboratory, Department of Pharmaceutical Sciences
[2] Govt. College of Pharmacy,Pharmaceutical Chemistry Research Laboratory, Dept. of Pharmaceutical Sciences
[3] Dr. H. S. Gour University,undefined
来源
Medicinal Chemistry Research | 2007年 / 16卷
关键词
QSAR; Arylsulfonamides; HIV-1 protease inhibitors; Anti-HIV agents;
D O I
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中图分类号
学科分类号
摘要
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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页码:342 / 351
页数:9
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