Abstract

After the 1918 Spanish Flu pandemic caused by the H1N1 virus, the recent coronavirus disease 2019 (COVID-19) brought us to the time of serious global health catastrophe. Although no proven therapies are identified yet which can offer a definitive treatment of the COVID-19, a series of antiviral, antibacterial, antiparasitic, immunosuppressant drugs have shown clinical benefits based on repurposing theory. However, these studies are made on small number of patients, and, in majority of the cases, have been carried out as nonrandomized trials. As society is running against the time to combat the COVID-19, we present here a comprehensive review dealing with up-to-date information of therapeutics or drug regimens being utilized by physicians to treat COVID-19 patients along with in-depth discussion of mechanism of action of these drugs and their targets. Ongoing vaccine trials, monoclonal antibodies therapy and convalescent plasma treatment are also discussed. Keeping in mind that computational approaches can offer a significant insight to repurposing based drug discovery, an exhaustive discussion of computational modeling studies is performed which can assist target-specific drug discovery.

Graphic abstract

中文翻译：

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COVID-19 的治疗：从计算到实践——我们在哪里，我们要去哪里。

摘要

继 1918 年由 H1N1 病毒引起的西班牙流感大流行之后，最近的 2019 年冠状病毒病 (COVID-19) 将我们带到了严重的全球健康灾难时期。尽管尚无经过验证的疗法可以对 COVID-19 提供明确的治疗，但基于再利用理论，一系列抗病毒、抗菌、抗寄生虫、免疫抑制药物已显示出临床益处。然而，这些研究是针对少数患者进行的，并且在大多数情况下都是作为非随机试验进行的。由于社会正在争分夺秒地抗击 COVID-19，我们在此发表一份全面的综述，其中涉及医生用于治疗 COVID-19 患者的疗法或药物方案的最新信息，并深入讨论了以下问题：这些药物的作用机制及其靶点。还讨论了正在进行的疫苗试验、单克隆抗体治疗和恢复期血浆治疗。请记住，计算方法可以为基于重新利用的药物发现提供重要的见解，对计算建模研究进行详尽的讨论，这可以帮助特定目标的药物发现。

图文摘要