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Updated: Sep 13, 2025

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使用分子对接和动态模拟方法识别来自猫传染性腹膜炎病毒的主要蛋白酶的潜在抑制剂

Mohd Yasir Khan1, Abid Ullah Shah2, Nithyadevi Duraisamy1

  • 1Department of Computer Science, College of Digital Engineering and Artificial Intelligence, Long Island University, Brooklyn, NY, United States of America.

PeerJ
|August 4, 2025
PubMed
概括

研究人员选了抗病毒药物以准猫感染性周周炎病毒 (FIPV) 主蛋白酶 (Mpro). GS-441524显示出作为FIPV-Mpro抑制剂的潜力,为新的猫类抗病毒疗法提供了希望.

关键词:
抗病毒药物是一种抗病毒药.动态模拟的动态模拟在 FCoV 病毒中,在FIPV中,我们可以看到.这是GS441524的产品.在形设计设计.分子对接是分子对接.在Mpro Mpro中使用.核酸类型的类似物.索福斯布维尔 (Sofosbuvir) 是一种药物.

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Many proteins form complexes to carry out their functions, making protein-protein interactions (PPIs) essential for an organism's survival. Most PPIs are stabilized by numerous weak noncovalent chemical forces. The physical shape of the interfaces determines the way two proteins interact. Many globular proteins have closely-matching shapes on their surfaces, which form a large number of weak bonds. Additionally, many PPIs occur between two helices or between a surface cleft and a...
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