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基于K36的抑制剂类似物作为针对SARS-CoV-2主要蛋白酶 (Mpro) 的潜在治疗方法:一个计算调查

Mohamed L AbouYoussef1, Mohamed M Aboelnga2,3, Nemany A Hanafy1

  • 1Institute of Nanoscience and Nanotechnology, Kafrelshiekh University, Kafrelskiekh, 33516, Egypt.

Scientific reports
|June 23, 2025
PubMed
概括

计算研究确定了新型化合物 (KL1-KL10) 作为向SARS-CoV-2主蛋白酶 (Mpro) 的强效抑制剂. 化合物KL7显示出优越的结合亲和力,这表明新的COVID-19抗病毒药物开发的潜力.

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Protein-protein Interfaces02:04

Protein-protein Interfaces

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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