Resources and computational strategies to advance small molecule SARS-CoV-2 discovery: Lessons from the pandemic and preparing for future health crises.
Resources and computational strategies to advance small molecule SARS-CoV-2 discovery: Lessons from the pandemic and preparing for future health crises.
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DOI：
10.1016/j.csbj.2021.04.059
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发表时间：
2021
影响因子：
6
通讯作者：
Villoutreix BO
中科院分区：
文献类型：
--
作者：
Singh N;Villoutreix BO
目前迫切需要确定预防SARS-CoV-2感染并改善COVID-19患者预后的新疗法。因此，这一流行病促使大多数科学领域进行了深入研究，并在短时间内开发出了几种疫苗。但是，尽管寻找COVID-19疫苗的竞赛占据了头条新闻，但其他类型的治疗药物正在开发中。在这篇小型综述中，我们报告了几个数据库和在线工具，可以帮助发现抗SARS-CoV-2的小分子化合物和肽。然后，我们给出了结合在硅片和体外筛选，无论是药物重新定位的目的或寻找新的生物活性化合物的研究的例子。最后，我们质疑在这场危机中，许多国家的学术研究总体上缺乏讨论和计划，并建议有改进的余地。
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.
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