Structure-Based Drug Design of RdRp Inhibitors against SARS-CoV-2

IF 7.1 2区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Topics in Current Chemistry Pub Date : 2023-06-15 DOI:10.1007/s41061-023-00432-x

Kiran Shehzadi, Afsheen Saba, Mingjia Yu, Jianhua Liang

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Abstract

The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has caused a worldwide pandemic since 2019, spreading rapidly and posing a significant threat to human health and life. With over 6 billion confirmed cases of the virus, the need for effective therapeutic drugs has become more urgent than ever before. RNA-dependent RNA polymerase (RdRp) is crucial in viral replication and transcription, catalysing viral RNA synthesis and serving as a promising therapeutic target for developing antiviral drugs. In this article, we explore the inhibition of RdRp as a potential treatment for viral diseases, analysing the structural information of RdRp in virus proliferation and summarizing the reported inhibitors’ pharmacophore features and structure–activity relationship profiles. We hope that the information provided by this review will aid in structure-based drug design and aid in the global fight against SARS-CoV-2 infection.

Graphical Abstract

Abstract Image

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基于结构的抗SARS-CoV-2 RdRp抑制剂药物设计

2019年以来，严重急性呼吸综合征冠状病毒2型(SARS-CoV-2)在全球范围内大流行，传播迅速，对人类健康和生命构成重大威胁。由于该病毒确诊病例超过60亿，对有效治疗药物的需求比以往任何时候都更加迫切。RNA依赖性RNA聚合酶(RdRp)在病毒复制和转录中起着至关重要的作用，催化病毒RNA合成，是开发抗病毒药物的一个有希望的治疗靶点。在本文中，我们探讨了抑制RdRp作为一种潜在的病毒性疾病的治疗方法，分析了RdRp在病毒增殖中的结构信息，总结了已报道的抑制剂的药效团特征和构效关系。我们希望本综述提供的信息将有助于基于结构的药物设计，并有助于全球抗击SARS-CoV-2感染。图形抽象

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来源期刊

Topics in Current Chemistry Chemistry-General Chemistry

CiteScore

13.70

自引率

1.20%

发文量

期刊介绍： Topics in Current Chemistry is a journal that presents critical reviews of present and future trends in modern chemical research. It covers all areas of chemical science, including interactions with related disciplines like biology, medicine, physics, and materials science. The articles in this journal are organized into thematic collections, offering a comprehensive perspective on emerging research to non-specialist readers in academia or industry. Each review article focuses on one aspect of the topic and provides a critical survey, placing it in the context of the collection. Selected examples highlight significant developments from the past 5 to 10 years. Instead of providing an exhaustive summary or extensive data, the articles concentrate on methodological thinking. This approach allows non-specialist readers to understand the information fully and presents the potential prospects for future developments.