Background: Coronavirus Disease 2019 (COVID-19) pandemic continues to threaten patients, societies and healthcare systems around the world. There is an urgent need to search for possible medications.

Objective: This article intends to use virtual screening and molecular docking methods to find potential inhibitors from existing drugs that can respond to COVID-19.

Methods: To take part in the current research investigation and to define a potential target drug that may protect the world from the pandemic of corona disease, a virtual screening study of 129 approved drugs was carried out which showed that their metabolic characteristics, dosages used, potential efficacy and side effects are clear as they have been approved for treating existing infections. Especially 12 drugs against chronic hepatitis B virus, 37 against chronic hepatitis C virus, 37 against human immunodeficiency virus, 14 anti-herpesvirus, 11 anti-influenza, and 18 other drugs currently on the market were considered for this study. These drugs were then evaluated using virtual screening and molecular docking studies on the active site of the (SARS-CoV-2) main protease (6lu7). Once the efficacy of the drug is determined, it can be approved for its in vitro and in vivo activity against the Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2), which can be beneficial for the rapid clinical treatment of patients.

These drugs were considered potentially effective against SARS-CoV-2 and those with high molecular docking scores were proposed as novel candidates for repurposing. The N3 inhibitor cocrystallized with protease (6lu7) and the anti-HIV protease inhibitor Lopinavir were used as standards for comparison.

Results: The results suggest the effectiveness of Beclabuvir, Nilotinib, Tirilazad, Trametinib and Glecaprevir as potent drugs against SARS-CoV-2 since they tightly bind to its main protease.

Conclusion: These promising drugs can inhibit the replication of the virus; hence, the repurposing of these compounds is suggested for the treatment of COVID-19. No toxicity measurements are required for these drugs since they were previously tested prior to their approval by the FDA. However, the assessment of these potential inhibitors as clinical drugs requires further in vivo tests of these drugs.

背景：2019年冠状病毒病（COVID-19）大流行继续威胁着世界各地的患者，社会和医疗系统。迫切需要寻找可能的药物。

目的：本文旨在使用虚拟筛选和分子对接方法从现有药物中发现可能对COVID-19有反应的潜在抑制剂。

方法：为了参与当前的研究调查并确定可能保护世界免受日冕病大流行的潜在靶标药物，对129种获批药物进行了虚拟筛选研究，结果显示其代谢特征，使用剂量，潜在的功效和副作用很明显，因为它们已被批准用于治疗现有感染。这项研究特别考虑了针对慢性乙型肝炎病毒的12种药物，针对慢性丙型肝炎病毒的37种药物，针对人类免疫缺陷病毒的37种药物，针对疱疹病毒的14种药物，针对抗流感的11种药物以及目前市场上其他18种药物。然后在（SARS-CoV-2）主要蛋白酶（6lu7）的活性位点上使用虚拟筛选和分子对接研究评估这些药物。一旦确定了药物的功效，

这些药物被认为可能对SARS-CoV-2有效，而那些具有高分子对接分数的药物被提议作为重新定位的新候选药物。将与蛋白酶（6lu7）共结晶的N3抑制剂和抗HIV蛋白酶抑制剂洛平那韦（Lopinavir）用作比较标准。

结果：结果表明，Beclabuvir，Nilotinib，Tirilazad，Trametinib和Glecaprevir作为对抗SARS-CoV-2的有效药物，由于它们与其主要蛋白酶紧密结合，因此是有效的。

结论：这些有前途的药物可以抑制病毒的复制。因此，建议将这些化合物重新用于治疗COVID-19。这些药物不需要毒性测量，因为它们在获得FDA批准之前已经过测试。但是，将这些潜在抑制剂作为临床药物进行评估需要对这些药物进行进一步的体内测试。