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COVID-19 Docking Server: a meta server for docking small molecules, peptides and antibodies against potential targets
Ren Kong1, Guangbo Yang1, Rui Xue1
1Institute of Bioinformatics and Medical Engineering, School of Electrical and Information Engineering, Jiangsu University of Technology, Changzhou 213001, China.
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.
Insights
A new web server aids in understanding COVID-19 (coronavirus disease 2019) by predicting interactions between viral targets and potential drug molecules, accelerating treatment discovery.
Area of Science:
- Virology
- Computational Biology
- Drug Discovery
Background:
- The emergence of coronavirus disease 2019 (COVID-19) has caused a global health crisis.
- Understanding virus-ligand interactions is crucial for developing effective treatments.
Purpose of the Study:
- To introduce the COVID-19 Docking Server, a novel web tool.
- To predict binding modes between COVID-19 targets and various ligands.
Main Methods:
- Collected and prepared structures of key viral proteins.
- Utilized a meta-platform for interactive docking predictions.
- Included small molecules, peptides, and antibodies as potential ligands.
Main Results:
- The server predicts binding modes for COVID-19 targets and ligands.
- It provides a free and interactive platform for researchers.
- Facilitates the drug discovery process for COVID-19.
Conclusions:
- The COVID-19 Docking Server is a valuable resource for studying virus-ligand interactions.
- This tool can accelerate the development of new therapies for COVID-19.
- It supports ongoing research efforts against the pandemic.
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