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探索严重急性呼吸综合征相关冠状病毒中主要蛋白酶的结合机制及其对抗SARS药物设计的意义。

Exploring the binding mechanism of the main proteinase in SARS-associated coronavirus and its implication to anti-SARS drug design.

作者信息

Zhang Xue Wu, Yap Yee Leng

机构信息

HKU-Pasteur Research Center, Bioinformatics, 8 Sassoon Road, Hong Kong, China.

出版信息

Bioorg Med Chem. 2004 May 1;12(9):2219-23. doi: 10.1016/j.bmc.2004.02.015.

DOI:10.1016/j.bmc.2004.02.015
PMID:15080921
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7125554/
Abstract

The main proteinase of SARS-associated coronavirus (SARS-CoV) plays an important role in viral transcription and replication, and is an attractive target for anti-SARS drug development. The important thing is to understand its binding mechanism with possible ligands. In this study, we investigated possible noncanonical interactions, potential inhibitors, and binding pockets in the main proteinase of SARS-CoV based on its recently determined crystal structure. These findings provide a wide clue to searching for anti-SARS drug. Interestingly, we found that similar structure patterns exist in SARS-CoV main proteinase with Poliovirus 3c Proteinase, Rhinovirus 3c Protease, Nsp4 Proteinase From Equine Arteritis Virus, Hepatitis C Virus Ns3 Protease, Hepatitis A Virus 3c Protease, and Dengue Virus Ns3 Protease. It suggests that the available drugs in these viruses could be used to fight SARS disease.

摘要

严重急性呼吸综合征相关冠状病毒（SARS-CoV）的主要蛋白酶在病毒转录和复制过程中发挥着重要作用，是抗SARS药物研发的一个有吸引力的靶点。关键在于了解其与可能的配体的结合机制。在本研究中，我们基于SARS-CoV主要蛋白酶最近确定的晶体结构，研究了可能的非规范相互作用、潜在抑制剂和结合口袋。这些发现为寻找抗SARS药物提供了广泛线索。有趣的是，我们发现SARS-CoV主要蛋白酶与脊髓灰质炎病毒3c蛋白酶、鼻病毒3c蛋白酶、马动脉炎病毒Nsp4蛋白酶、丙型肝炎病毒Ns3蛋白酶、甲型肝炎病毒3c蛋白酶和登革热病毒Ns3蛋白酶存在相似的结构模式。这表明这些病毒中可用的药物可用于对抗SARS疾病。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5bf8/7125554/e645046f1037/fx1.jpg

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