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Machine intelligence design of 2019-nCoV drugs

Kaifu Gao, Duc Duy Nguyen, Rui Wang, Guo-Wei Wei
doi: https://doi.org/10.1101/2020.01.30.927889
Kaifu Gao
1Department of Mathematics, Michigan State University, MI 48824, USA
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Duc Duy Nguyen
1Department of Mathematics, Michigan State University, MI 48824, USA
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Rui Wang
1Department of Mathematics, Michigan State University, MI 48824, USA
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Guo-Wei Wei
1Department of Mathematics, Michigan State University, MI 48824, USA
2Department of Biochemistry and Molecular Biology, Michigan State University, MI 48824, USA
3Department of Electrical and Computer Engineering, Michigan State University, MI 48824, USA
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  • For correspondence: wei@math.msu.edu
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Abstract

Wuhan coronavirus, called 2019-nCoV, is a newly emerged virus that infected more than 9692 people and leads to more than 213 fatalities by January 30, 2020. Currently, there is no effective treatment for this epidemic. However, the viral protease of a coronavirus is well-known to be essential for its replication and thus is an effective drug target. Fortunately, the sequence identity of the 2019-nCoV protease and that of severe-acute respiratory syndrome virus (SARS-CoV) is as high as 96.1%. We show that the protease inhibitor binding sites of 2019-nCoV and SARS-CoV are almost identical, which means all potential anti-SARS-CoV chemotherapies are also potential 2019-nCoV drugs. Here, we report a family of potential 2019-nCoV drugs generated by a machine intelligence-based generative network complex (GNC). The potential effectiveness of treating 2019-nCoV by using some existing HIV drugs is also analyzed.

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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. It is made available under a CC-BY-NC 4.0 International license.
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Posted February 04, 2020.
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Machine intelligence design of 2019-nCoV drugs
Kaifu Gao, Duc Duy Nguyen, Rui Wang, Guo-Wei Wei
bioRxiv 2020.01.30.927889; doi: https://doi.org/10.1101/2020.01.30.927889
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Machine intelligence design of 2019-nCoV drugs
Kaifu Gao, Duc Duy Nguyen, Rui Wang, Guo-Wei Wei
bioRxiv 2020.01.30.927889; doi: https://doi.org/10.1101/2020.01.30.927889

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