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Updated: Jul 5, 2025

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
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分子对接,3D-QASR和分子动力学模拟本齐米达Pin1抑制剂的分子对接,3D-QASR和分子动力学模拟

Min Liu1, Bingli Wang1, Huan Liu1

  • 1Collaborative Innovation Center of New Drug Research and Safety Evaluation, Henan Province, Key Laboratory of Technology of Drug Preparation (Zhengzhou University), Ministry of Education of China, Key Laboratory of Henan Province for Drug Quality and Evaluation, School of Pharmaceutical Sciences, Zhengzhou University, Zhengzhou 450001, P.R. China. dinglina123@126.com.

Physical chemistry chemical physics : PCCP
|January 22, 2024
PubMed
概括

这项研究揭示了胺醇化合物如何与Pin1结合 (与从未进入线粒分裂的阿基纳酶-1相互作用的蛋白质),这是一个关键的癌症标. 了解这些相互作用有助于设计有效的癌症治疗方法.

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