Singh Natesh, Villoutreix Bruno O
Université de Paris, Inserm UMR 1141 NeuroDiderot, Robert-Debré Hospital, 75019 Paris, France.
Comput Struct Biotechnol J. 2021;19:2537-2548. doi: 10.1016/j.csbj.2021.04.059. Epub 2021 Apr 26.
There is an urgent need to identify new therapies that prevent SARS-CoV-2 infection and improve the outcome of COVID-19 patients. This pandemic has thus spurred intensive research in most scientific areas and in a short period of time, several vaccines have been developed. But, while the race to find vaccines for COVID-19 has dominated the headlines, other types of therapeutic agents are being developed. In this mini-review, we report several databases and online tools that could assist the discovery of anti-SARS-CoV-2 small chemical compounds and peptides. We then give examples of studies that combined in silico and in vitro screening, either for drug repositioning purposes or to search for novel bioactive compounds. Finally, we question the overall lack of discussion and plan observed in academic research in many countries during this crisis and suggest that there is room for improvement.
迫切需要确定能够预防新型冠状病毒（SARS-CoV-2）感染并改善新冠肺炎（COVID-19）患者预后的新疗法。因此，这场大流行促使大多数科学领域展开了深入研究，并且在短时间内就研发出了几种疫苗。但是，尽管寻找COVID-19疫苗的竞赛占据了各大媒体的头条，其他类型的治疗药物也正在研发中。在这篇小型综述中，我们报告了几个数据库和在线工具，它们有助于发现抗SARS-CoV-2的小分子化合物和肽。然后，我们给出了一些研究实例，这些研究结合了计算机模拟和体外筛选，要么用于药物重新定位，要么用于寻找新型生物活性化合物。最后，我们对许多国家在这场危机期间学术研究中普遍缺乏讨论和规划提出质疑，并表明仍有改进空间。
