The treatment of COVID-19 disease has been one of the most critical essential concerns of researchers in recent years. One of the most exciting and potential therapeutic targets for SARS-CoV-2 therapy progression is RNA-dependent RNA polymerase (RdRP), a viral enzyme for viral RNA replication throughout host cells. According to some research, Remdesivir suppresses RdRp. The nucleoside medication remdesivir has been authorized under an Emergency Use Authorization to treat COVID-19. Given the role of this enzyme in virus replication, our scientific question is whether Remdesivir is the most appropriate antiviral drug to inhibit this enzyme or not. Accordingly, this study aimed to repurpose antiviral drugs to inhibition of RdRp using virtual screening and Molecular Dynamics simulation methods. Five FDA-approved antiviral medications, including Elbasvir, Glecaprevir, Ledipasvir, Paritaprevir, and Simeprevir, had good interaction potential with RdRp. Also, the results show that the number of H-bonds and contacts and ∆G interactions between the protein and ligand in the Remdesivir complex is less than those of other complexes. According to the given data which shows the tendency of binding with RdRp for Paritaprevir, Simeprevir, Glecaprevir, and Ledipasvir and Elbasvir is more than Remdesivir and due to the fact that these five drugs have a high tendency to bind to other targets in the SARS-CoV-2, the use of Remdesivir as an antiviral drug in the treatment of COVID-19 should be considered more sensitively.

近年来，COVID-19 疾病的治疗一直是研究人员最关心的基本问题之一。SARS-CoV-2 治疗进展中最令人兴奋和潜在的治疗靶点之一是 RNA 依赖性 RNA 聚合酶 (RdRP)，这是一种用于病毒 RNA 在宿主细胞中复制的病毒酶。根据一些研究，瑞德西韦抑制 RdRp。核苷类药物瑞德西韦已获得紧急使用授权，可用于治疗 COVID-19。鉴于这种酶在病毒复制中的作用，我们的科学问题是瑞德西韦是否是抑制这种酶的最合适的抗病毒药物。因此，本研究旨在使用虚拟筛选和分子动力学模拟方法将抗病毒药物重新用于抑制 RdRp。五种 FDA 批准的抗病毒药物，包括 Elbasvir、Glecaprevir、Ledipasvir、Paritaprevir 和 Simeprevir，与 RdRp 具有良好的相互作用潜力。此外，结果表明，H 键和触点的数量以及 Δ瑞德西韦复合物中蛋白质与配体之间的G相互作用低于其他复合物。根据给定的数据，Paritaprevir、Simeprevir、Glecaprevir 和 Ledipasvir 和 Elbasvir 与 RdRp 结合的趋势超过 Remdesivir，并且由于这五种药物与 SARS 中的其他目标结合的趋势很高- CoV-2，应更敏感地考虑使用瑞德西韦作为抗病毒药物治疗 COVID-19。