Preprint Hypothesis Version 1 This version is not peer-reviewed

Discovery of Anti-2019-nCoV Agents from Chinese Patent Drugs via Docking Screening

Version 1 : Received: 17 February 2020 / Approved: 18 February 2020 / Online: 18 February 2020 (03:06:39 CET)
Version 2 : Received: 19 February 2020 / Approved: 23 February 2020 / Online: 23 February 2020 (02:09:52 CET)

How to cite: Yan, Y.; Shen, X.; Cao, Y.; Zhang, J.; Wang, Y.; Cheng, Y. Discovery of Anti-2019-nCoV Agents from Chinese Patent Drugs via Docking Screening . Preprints 2020, 2020020254 (doi: 10.20944/preprints202002.0254.v1). Yan, Y.; Shen, X.; Cao, Y.; Zhang, J.; Wang, Y.; Cheng, Y. Discovery of Anti-2019-nCoV Agents from Chinese Patent Drugs via Docking Screening . Preprints 2020, 2020020254 (doi: 10.20944/preprints202002.0254.v1).

Abstract

The 2019 novel coronavirus (2019-nCoV) causes novel coronavirus pneumonia (NCP). Given that approved drug repurposing becomes a common strategy to quickly find antiviral treatments, a collection of FDA-approved drugs can be powerful resources for new anti-NCP indication discoveries. In addition to synthetic compounds, Chinese Patent Drugs (CPD), also play a key role in the treatment of virus related infections diseases in China. Here we compiled major components from 38 CPDs that are commonly used in the respiratory diseases and docked them against two drug targets, ACE2 receptor and viral main protease. According to our docking screening, 10 antiviral components, including hesperidin, saikosaponin, rutin, baicalin, glycyrrhizin, mulberroside A, puerarin, orientin, amygdalin, and ilexgenin A, can directly bind to both host cell target ACE2 receptor and viral target main protease, indicating their potential for 2019-nCoV treatment.

Subject Areas

2019-nCoV; novel coronavirus pneumonia; docking; ACE2; viral main protease

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