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

Abstract

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 challenge. 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 antibodies.

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.

AVAILABILITY AND IMPLEMENTATION:

http://ncov.schanglab.org.cn.

SUPPLEMENTARY INFORMATION:

Supplementary data are available at Bioinformatics online.

• Authors: Ren Kong, Guangbo Yang, Rui Xue, Ming Liu, Feng Wang, Jianping Hu, Xiaoqiang Guo, Shan Chang
• Journal: Bioinformatics (Oxford, England) (Bioinformatics) Vol. 36 Issue 20 Pg. 5109-5111 (12 22 2020) ISSN: 1367-4811 [Electronic] England
• PMID: 32692801 (Publication Type: Journal Article, Research Support, Non-U.S. Gov't)
• Copyright: © The Author(s) 2020. Published by Oxford University Press. All rights reserved. For permissions, please e-mail: [email protected].

Chemical References

• Antibodies
• Ligands
• Peptides

Topics

• Antibodies
• COVID-19 (therapy)
• Drug Discovery
• Humans
• Internet
• Ligands
• Molecular Docking Simulation
• Peptides
• SARS-CoV-2
• Software