Preprint Hypothesis Version 2 This version is not peer-reviewed

Discovery of Anti-2019-nCoV Agents from 38 Chinese Patent Drugs toward Respiratory Diseases 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 38 Chinese Patent Drugs toward Respiratory Diseases via Docking Screening . Preprints 2020, 2020020254 (doi: 10.20944/preprints202002.0254.v2). Yan, Y.; Shen, X.; Cao, Y.; Zhang, J.; Wang, Y.; Cheng, Y. Discovery of Anti-2019-nCoV Agents from 38 Chinese Patent Drugs toward Respiratory Diseases via Docking Screening . Preprints 2020, 2020020254 (doi: 10.20944/preprints202002.0254.v2).

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 A, rutin, corosolic acid, verbascoside, baicalin, glycyrrhizin, mulberroside A, cynaroside, and bilirubin, can directly bind to both host cell target ACE2 receptor and viral target main protease. In combination of the docking results, the natural abundance of the substances, and botanical knowledge, we proposed that artemisinin, rutin, glycyrrhizin, cholic acid, hyodeoxycholic acid, puerarin, oleanic acid, andrographolide, matrine, codeine, morphine, chlorogenic acid, and baicalin (or Yinhuang Injection containing chlorogenic acid and baicalin) might be of value for clinical trials during a 2019-nCov outbreak.

Subject Areas

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

Comments (1)

Comment 1
Received: 23 February 2020
Commenter: Yan WANG
Commenter's Conflict of Interests: Author
Comment: We docked another batch of Chinese patent drugs and combined the results together.
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