文章基本信息

标题：Modeling of Pyrazine based Blockers of the Nav 1.8 Sodium Channel for the Treatment of Neuropathic Pain using QSAR
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作者：Shraddha Srivastava ; A.K. Srivastava ; Neerja Shukla 等
期刊名称：International Journal of Innovative Research in Science, Engineering and Technology
印刷版ISSN：2347-6710
电子版ISSN：2319-8753
出版年度：2017
卷号：6
期号：8
页码：17149
DOI：10.15680/IJIRSET.2017.0608210
出版社：S&S Publications
摘要：Quantitative structure–activity relationship has been performed on a series of pyrazine-based blockersof the Nav 1.8 sodium channel, using different physicochemical parameters along with appropriate indicator variables.A large number of physicochemical parameters were calculated for the present series of compounds and multiple linearregression analysis (MLRA) was performed Various regression models have been formulated and the statistical dataindicate that some of the descriptors provide valuable information that can be used to predict activity of futurederivatives. Different models that were generated were found to be associated with high values of R2 and low valuesof PRESS/SSY ratio. The statistically significant equations were statistically tested by using leave one out (LOO)technique and other cross-validation methods.
关键词：Neuropathic Pain; DFT; Pyrazine; QSAR and Regression analysis.