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Fragment-based Drug Discovery Strategy and its Application to the Design of SARS-CoV-2 Main Protease Inhibitor
Current Medicinal Chemistry ( IF 4.1 ) Pub Date : 2024-03-26 , DOI: 10.2174/0109298673294251240229070740
Yu Jiang 1, 2 , Yingnan Wu 2 , Jing Wang 2 , Yuheng Ma 2 , Hui Yu 3 , Zhanli Wang 1
Affiliation  

: Severe Acute Respiratory Syndrome Coronavirus Type 2 (SARS-CoV-2) emerged at the end of 2019, causing a highly infectious and pathogenic disease known as 2019 coronavirus disease. This disease poses a serious threat to human health and public safety. The SARS-CoV-2 main protease (Mpro) is a highly sought-after target for developing drugs against COVID-19 due to its exceptional specificity. Its crystal structure has been extensively documented. Numerous strategies have been employed in the investigation of Mpro inhibitors. This paper is primarily concerned with Fragment-based Drug Discovery (FBDD), which has emerged as an effective approach to drug design in recent times. Here, we summarize the research on the approach of FBDD and its application in developing inhibitors for SARS-CoV-2 Mpro.

中文翻译:

基于片段的药物发现策略及其在 SARS-CoV-2 主要蛋白酶抑制剂设计中的应用

:严重急性呼吸系统综合症冠状病毒2型(SARS-CoV-2)于2019年底出现,引起一种高度传染性和致病性的疾病,称为2019冠状病毒病。该病对人类健康和公共安全构成严重威胁。 SARS-CoV-2 主要蛋白酶 (Mpro) 因其卓越的特异性而成为开发抗 COVID-19 药物的备受追捧的靶标。其晶体结构已被广泛记录。 Mpro 抑制剂的研究中采用了多种策略。本文主要关注基于片段的药物发现(FBDD),它近年来已成为一种有效的药物设计方法。在此,我们总结了 FBDD 方法的研究及其在开发 SARS-CoV-2 Mpro 抑制剂中的应用。
更新日期:2024-03-26
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