论文标题

COVID-19对接服务器:用于对抗Covid-19的潜在靶标的小分子,肽和抗体的元服务器

COVID-19 Docking Server: A meta server for docking small molecules, peptides and antibodies against potential targets of COVID-19

论文作者

Kong, Ren, Yang, Guangbo, Xue, Rui, Liu, Ming, Wang, Feng, Hu, Jianping, Guo, Xiaoqiang, Chang, Shan

论文摘要

Motivation: The coronavirus disease 2019 (COVID-19) caused by a new type of coronavirus has been emerging from China and led to thousands of death globally since December 2019. Despite many groups have engaged in studying the newly emerged virus and searching for the treatment of COVID-19, the understanding of the COVID-19 target-ligand interactions represents a key chal-lenge.本文中,我们介绍了Covid-19 docking Server,该服务器是一个Web服务器,可预测Covid-19目标与包括小分子,肽和抗体在内的配体之间的绑定模式。结果:基于冠状病毒的同源物收集或构建了参与病毒生命周期的蛋白质的结构,并准备好进行对接。 Meta平台为预测Covid-19目标配体相互作用以及Covid-19的药物发现提供了免费的交互式工具。

Motivation: The coronavirus disease 2019 (COVID-19) caused by a new type of coronavirus has been emerging from China and led to thousands of death globally since December 2019. Despite many groups have engaged in studying the newly emerged virus and searching for the treatment of COVID-19, the understanding of the COVID-19 target-ligand interactions represents a key chal-lenge. Herein, we introduce COVID-19 Docking Server, a web server that predicts the binding modes between COVID-19 targets and the ligands including small molecules, peptides and anti-bodies. Results: Structures of proteins involved in the virus life cycle were collected or constructed based on the homologs of coronavirus, and prepared ready for docking. The meta platform provides a free and interactive tool for the prediction of COVID-19 target-ligand interactions and following drug discovery for COVID-19.

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