QSAR Studies on Some Sulfonamides as Antidiabetic Agents

V. Agrawal
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Abstract

The need for antidiabetic agents is growing day by day in pharmaceutical industry to find novel, potent and more specialized class of medicine. To address the need we have evaluated a set of sulphonamide drugs for their potential to fight against diabetes. In the present study antidiabetic activity of 47 sulfonamide derivatives have been modeled using topological descriptors. The activity in terms of pKi have been modeled using descriptors calculated from Dragon software. The best model having R2 value 0.9897 have been reported after deleting two outliers. The model was tested using Cross validated method. The R2cv value for the reported five-parametric model comes out to be 0.9896. The model has also been tested for collinearity or defect of Chance. It has been established that the model is free from any defect. The author suggests the testing of these compound for in vivo studies to specify the other pharmacological significance and therapeutic potential for future use.
磺胺类抗糖尿病药物的QSAR研究
制药行业对抗糖尿病药物的需求日益增长,以寻找新颖、有效和更专业的药物。为了满足这一需求,我们评估了一组磺胺类药物对抗糖尿病的潜力。在目前的研究中,47磺胺衍生物的抗糖尿病活性已经用拓扑描述符建模。使用Dragon软件计算的描述符对pKi方面的活动进行了建模。删除两个异常值后,报告了R2值为0.9897的最佳模型。采用交叉验证法对模型进行检验。报告的五参数模型的R2cv值为0.9896。该模型还进行了共线性或Chance缺陷的测试。已证实该模型无任何缺陷。作者建议对这些化合物进行体内试验,以确定其其他药理意义和治疗潜力,以供将来使用。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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