CoMFA法探讨吡啶酮-嘧啶酮衍生物作为葡萄糖激酶激活剂治疗糖尿病的三维QSAR研究

Asian Journal of Organic & Medicinal Chemistry Pub Date : 2022-01-01 DOI:10.14233/ajomc.2022.ajomc-p360

Priyanka N. Chhajed, R. B. Patil

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引用次数: 0

摘要

在这项工作中，我们对已报道的吡啶酮-嘧啶酮衍生物进行了3D QSAR研究。应用comfa3生成QSAR三维模型。共生成8个QSAR模型。模型2接近标准设定标准。在等高线图上观察了立体和静电取代基对生物活性的影响。本研究为今后研究人员设计新的吡啶嘧啶类衍生物提供了参考。

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Exploring 3D QSAR Study of Pyridone-Pyrimidone Derivatives as Glucokinase Activators in Treatment of Diabetes Mellitus by using CoMFA Method

In this work, we have performed 3D QSAR study of reported pyridone-pyrimidone derivatives. CoMFA was applied to generate 3D QSAR models. Total eight QSAR models were generated. Model 2 was close to standard set criteria. Effect of steric and electrostatic substituents on biological activity was observed on contour maps. This study will be helpful for future researchers in designing new pyridinepyrimidone derivatives.

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Asian Journal of Organic & Medicinal Chemistry

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