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. Preprints2020, 2020020254. https://doi.org/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. https://doi.org/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. Preprints2020, 2020020254. https://doi.org/10.20944/preprints202002.0254.v1
APA Style
Yan, Y., Shen, X., Cao, Y., Zhang, J., Wang, Y., & Cheng, Y. (2020). Discovery of Anti-2019-nCoV Agents from Chinese Patent Drugs via Docking Screening<strong> </strong>. Preprints. https://doi.org/10.20944/preprints202002.0254.v1
Chicago/Turabian Style
Yan, Y., Yan Wang and Yong-Xian Cheng. 2020 "Discovery of Anti-2019-nCoV Agents from Chinese Patent Drugs via Docking Screening<strong> </strong>" Preprints. https://doi.org/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.
Keywords
2019-nCoV; novel coronavirus pneumonia; docking; ACE2; viral main protease
Subject
Medicine and Pharmacology, Pharmacology and Toxicology
Copyright:
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
