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

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arxiv 2003.00163 v2 pith:I5KDKXGE submitted 2020-02-29 q-bio.BM

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

classification q-bio.BM
keywords covid-19dockingservercoronavirusinteractionsmetamoleculespeptides
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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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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