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Updated: Jun 11, 2025

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
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探索尼克洛萨米德作为针对SARS-CoV-2的多目标药物:对宿主和病毒蛋白质的分子动力学模拟研究

Prachi Jagtap1, Virendra Kumar Meena2, Susmit Sambhare2

  • 1Bioinformatics & Data Management Group, ICMR National Institute of Virology, 20A Dr. Ambedkar Road, Pune, Maharashtra, 411 001, India.

Molecular biotechnology
|October 7, 2024
PubMed
概括

尼克洛萨米德通过抑制宿主TMEM16F和病毒蛋白酶,显示出作为SARS-CoV-2重用药物的潜力. 分子模拟揭示了稳定的结合相互作用,支持其针对COVID-19的多目标治疗方法.

关键词:
停靠对接 停靠对接药物重新定位是药物重新定位.脂质 scramblase 的使用方法模拟MD的模拟方法在Mpro Mpro中使用.尼克洛萨米德 (Niclosamide) 是一种尼克洛萨米德.PLpro PLpro 是一个专业的蛋白酶抑制剂是一种蛋白酶抑制剂.这就是SARS-CoV-2病毒.hTMEM16F 这是一个很好的例子.

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