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基于阿扎的SARS-CoV-2主要蛋白酶抑制剂:设计,合成,酶抑制,结构确定和抗病毒活性

Philipp Flury^1,2, Jyoti Vishwakarma³, Katharina Sylvester⁴

¹Institute of Pharmaceutical Sciences, Department of Pharmaceutical and Medicinal Chemistry, Eberhard Karls University Tübingen, Auf der Morgenstelle 8, Tübingen 72076, Germany.

Journal of medicinal chemistry

|September 11, 2025

概括

针对SARS-CoV-2主要蛋白酶 (M^pro) 的新型阿扎胺抑制剂显示出强大的抗病毒活性. 这些化合物对变种有效,并显示出作为广泛的冠状病毒治疗药物的潜力.

科学领域:

生物化学生物化学
病毒学病毒学
药用化学医学化学

背景情况:

SARS-CoV-2 主蛋白酶 (M^pro) 对于病毒复制和病变产生至关重要.
在冠状病毒中M^pro的保存使其成为广谱抗病毒药物的有希望的目标.

研究的目的:

设计,合成和评估新的基于阿扎的SARS-CoV-2 M^pro的抑制剂.
探索结构-活性关系并识别有力的抗病毒化合物.

主要方法:

亚扎酸衍生物的化学合成.
生物化学试验以确定M^pro抑制 (IC₅₀值).
对SARS-CoV-2变种和其他冠状病毒进行抗病毒活性测试.
对M^pro-抑制剂复合物的晶体分析.

主要成果:

几种阿扎胺抑制剂实现了对SARS-CoV-2 M^pro的纳米分子IC₅₀值.
化合物14r,14s,20a和20g显示出显著的抑制功效.
选择的抑制剂显示对MERS-CoV和SARS-CoV-1M^pro的活性,但不是人类cathepsin L.
像20a和20f这样的抑制剂表现出强大的抗病毒活性,包括对抗与nirmatrelvir相似的E166V变体.
同结晶揭示了20a与Mpro催化残留Cys145.5的共价添加物.

结论:

基于阿扎的抑制剂代表了针对SARS-CoV-2 M^pro的一类有希望的化合物.
这些抑制剂显示出对各种冠状病毒的宽谱潜力.
这些已识别的化合物作为开发未来泛抗冠状病毒疗法的宝贵工具.

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