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

View ORCID ProfileZehua Zeng, Zhi Luo, Hongwu Du
doi: https://doi.org/10.1101/2020.02.26.961938
Zehua Zeng
112 Lab, School of Chemistry and Biological Engineering, University of Science and Technology Beijing, Beijing 100083, China. E-mail address:
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  • ORCID record for Zehua Zeng
  • For correspondence: hongwudu{at}ustb.edu.cn
Zhi Luo
112 Lab, School of Chemistry and Biological Engineering, University of Science and Technology Beijing, Beijing 100083, China. E-mail address:
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  • For correspondence: hongwudu{at}ustb.edu.cn
Hongwu Du
112 Lab, School of Chemistry and Biological Engineering, University of Science and Technology Beijing, Beijing 100083, China. E-mail address:
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  • For correspondence: hongwudu{at}ustb.edu.cn hongwudu{at}ustb.edu.cn
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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 the 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.

Footnotes

  • https://github.com/Starlitnightly/Bio_2019_nCoV

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The copyright holder for this preprint is the author/funder, who has granted bioRxiv a license to display the preprint in perpetuity. All rights reserved. No reuse allowed without permission.
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Posted March 02, 2020.
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Predictions for the binding domain and potential new drug targets of 2019-nCoV
Zehua Zeng, Zhi Luo, Hongwu Du
bioRxiv 2020.02.26.961938; doi: https://doi.org/10.1101/2020.02.26.961938
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Predictions for the binding domain and potential new drug targets of 2019-nCoV
Zehua Zeng, Zhi Luo, Hongwu Du
bioRxiv 2020.02.26.961938; doi: https://doi.org/10.1101/2020.02.26.961938

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