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Potential inhibitors for 2019-nCoV coronavirus M protease from clinically approved medicines

Xin Liu, Xiu-Jie Wang
doi: https://doi.org/10.1101/2020.01.29.924100
Xin Liu
1Key Laboratory of Genetic Network Biology, Institute of Genetics and Developmental Biology, Chinese Academy of Sciences, Beijing, China
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Xiu-Jie Wang
1Key Laboratory of Genetic Network Biology, Institute of Genetics and Developmental Biology, Chinese Academy of Sciences, Beijing, China
2University of Chinese Academy of Sciences, Beijing, China
3Innovation Academy for Seed Design, Chinese Academy of Sciences, Beijing, China
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  • For correspondence: xjwang@genetics.ac.cn
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Abstract

Starting from December 2019, a novel coronavirus, named 2019-nCoV, was found to cause Severe Acute Respiratory (SARI) symptoms and rapid pandemic in China. With the hope to identify candidate drugs for 2019-nCoV, we adopted a computational approach to screen for available commercial medicines which may function as inhibitors for the Mpro of 2019-nCoV. Up to 10 commercial medicines that may form hydrogen bounds to key residues within the binding pocket of 2019-nCoV Mpro were identified, which may have higher mutation tolerance than lopinavir/ritonavir and may also function as inhibitors for other coronaviruses with similar Mpro binding sites and pocket structures.

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Posted January 29, 2020.
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Potential inhibitors for 2019-nCoV coronavirus M protease from clinically approved medicines
Xin Liu, Xiu-Jie Wang
bioRxiv 2020.01.29.924100; doi: https://doi.org/10.1101/2020.01.29.924100
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Potential inhibitors for 2019-nCoV coronavirus M protease from clinically approved medicines
Xin Liu, Xiu-Jie Wang
bioRxiv 2020.01.29.924100; doi: https://doi.org/10.1101/2020.01.29.924100

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