Articles Vaccination Articles

Predictions for The Binding Domain and Potential New Drug Targets of 2019-nCoV

Published time: 2 March 2020

Authors: Zehua Zeng, Zhi Luo, Hongwu Du

Keywords: 2019-nCoV, drug target prediction, I-TASSER, Phyre2


Abstract

An outbreak of new SARS-like viral in Wuhan, China has been named 2019-nCoV. The current state of the
epidemic is increasingly serious, and there has been an urgent necessity to develop an effective new drug. In
previous studies, it was found that the conformation change in CTD1 was the region where SARS-CoV bound
to human ACE2. Although there are mutations of the 2019-nCoV, the binding energy of ACE2 remains high.
The surface glycoprotein of 2019-nCoV was coincident with the CTD1 region of the S-protein by comparing
the I-TASSER prediction model with the actual SARS model, which suggests that 2019-nCoV may bind to
the ACE2 receptor through conformational changes. Furthermore, site prediction on the surface glycoprotein
of 2019-nCoV suggests some core amino acid area may be a novel drug target against 2019-nCoV.


Predictions for the binding domain and potential new drug targets of 2019-nCoV

 

Reference: https://www.biorxiv.org/content/10.1101/2020.02.26.961938v1.full

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