Modelling of Anti-HIV-1 Activity of Piperidine-4-carboxamide CCR5 Antagonist: Role of Structural Manipulation

A. Tiwari, N. Agrawal, M. Thakur, G. Nagendrappa, A. Thakur
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Abstract

http://dx.doi.org/10.21276/IJRDPL.22780238.2018.7(3).3006-3010 ABSTRACT: Present study is aimed to understand the role of structural manipulation in modeling of anti-HIV-1 activity of Piperidine-4-Carboxamide CCR5 antagonists. For the purpose a set of 21 Piperidine-4-Carboxamide has been chosen. Study explores the role of various, structural features like size, substitution and steric properties in anti-HIV1 activity of Piperidine-4-Carboxamide CCR5 antagonists derivatives. Multiple regression method is adopted to understand the role of structural manipulation in modeling the logIC50 activity. Statistics generated from the study shows that none of the parameter having statistical significant value of r but bi-parametric to tetra-parametric combinations produced the improved regression value.
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哌啶-4-羧酰胺CCR5拮抗剂抗hiv -1活性的建模:结构操纵的作用
http://dx.doi.org/10.21276/IJRDPL.22780238.2018.7(3).3006-3010摘要:本研究旨在了解结构操纵在哌啶-4- carboxamide CCR5拮抗剂抗hiv -1活性建模中的作用。为此,我们选择了一套21哌啶-4-羧基酰胺。研究探讨了哌啶-4-羧基酰胺CCR5拮抗剂衍生物的大小、取代和立体结构等多种结构特征在抗hiv活性中的作用。采用多元回归方法来理解结构操作在logIC50活动建模中的作用。本研究的统计数据表明,具有统计显著值r的参数均不存在,但双参数到四参数组合产生了改进的回归值。
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