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Updated: May 9, 2025

Author Spotlight: Network Pharmacology and Molecular Docking to Decipher the Action of Jiawei Shengjiang San Against Diabetic Kidney Disease
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3D-QSAR建模与选择局部反应描述剂 (LRD) 和分子对接研究的二甲-硫胺衍生物的3D-QSAR建模

Yahya Güzel1, Sevcan Karakaya1, Lichang Wang2

  • 1Department of Chemistry, Faculty of Science, Erciyes University, Kayseri 38280, Türkiye.

Computational biology and chemistry
|May 4, 2025
PubMed
概括

这项研究使用局部反应性描述器 (LRD) 和3D-QSAR模型分析了联体受体相互作用. 最好的模型将静电电荷和LUMO系数确定为针对人类碳酸无水酶的二甲-二硫胺衍生物的关键因素.

关键词:
在3D-QSAR中使用3D-QSAR人类的碳酸无水酶.当地反应描述器 (LRD)分子对接是分子对接.

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