Institute of Pharmaceutical Research, GLA University, Mathura, 281406, U.P., India.
Curr Pharm Biotechnol. 2022;23(3):396-419. doi: 10.2174/1389201022666210421102513.
Due to the extremely contagious nature of SARS-COV-2, it presents a significant threat to humans worldwide. A plethora of studies are going on all over the world to discover the drug to fight SARS-COV-2. One of the most promising targets is RNA-dependent RNA polymerase (RdRp), responsible for viral RNA replication in host cells. Since RdRp is a viral enzyme with no host cell homologs, it allows the development of selective SARS-COV-2 RdRp inhibitors. A variety of studies used in silico approaches for virtual screening, molecular docking, and repurposing of already existing drugs and phytochemicals against SARS-COV-2 RdRp. This review focuses on collating compounds possessing the potential to inhibit SARS-COV-2 RdRp based on in silico studies to give medicinal chemists food for thought so that the existing drugs can be repurposed for the control and treatment of ongoing COVID-19 pandemic after performing in vitro and in vivo experiments.
由于 SARS-CoV-2 具有极强的传染性,因此对全球人类构成了重大威胁。目前,全世界正在开展大量研究以寻找对抗 SARS-CoV-2 的药物。最有希望的靶标之一是 RNA 依赖性 RNA 聚合酶(RdRp),它负责宿主细胞中的病毒 RNA 复制。由于 RdRp 是一种没有宿主细胞同源物的病毒酶,因此可以开发针对 SARS-CoV-2 RdRp 的选择性抑制剂。许多研究使用计算方法进行虚拟筛选、分子对接以及针对 SARS-CoV-2 RdRp 的已有药物和植物化学物质的再利用。本综述重点介绍了根据计算研究具有抑制 SARS-CoV-2 RdRp 潜力的化合物,为药物化学家提供了思路,以便在进行体外和体内实验后,可以重新利用现有药物来控制和治疗当前的 COVID-19 大流行。