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Updated: Feb 1, 2026

In Silico Modeling Method for Computational Aquatic Toxicology of Endocrine Disruptors: A Software-Based Approach Using QSAR Toolbox
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Published on: August 28, 2019

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可调的基于三醇的霍乱毒素抑制剂:以QSAR为指导的设计和评估方法

Huma Basheer1, Chandra S Azad2, M Samim1

  • 1Organic Synthetic Laboratory, Department of Chemistry, School of Chemical and Life Sciences Jamia Hamdard, New Delhi 110062, India.

Bioorganic chemistry
|January 30, 2026
PubMed
概括

研究人员开发了一种新型,易于合成的三醇药物,在低微分子度下有效抑制霍乱毒素B亚单元 (CTB). 这种计算实验方法加速了强大的抗霍乱治疗方法的设计.

关键词:
1,2,3-三醇衍生物 1,2,3-三醇衍生物霍乱毒素B子单元的霍乱毒素B子单元.点击化学 (CuAAC/RuAAC) 的情况艾丽莎 (ELISA) 结合性测试试剂分子对接是分子对接.分子动力学 (MD) 模拟多价值抑制剂多价值抑制剂QM/MM 描述符的使用方法在QSAR建模中使用QSAR模型.

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