QSAR Modeling of SARS‐CoV MproInhibitors Identifies Sufugolix, Cenicriviroc, Proglumetacin, and other Drugs as Candidates for Repurposing against SARS‐CoV‐2

Author:

Alves Vinicius M.1,Bobrowski Tesia2,Melo‐Filho Cleber C.2,Korn Daniel23,Auerbach Scott4,Schmitt Charles1,Muratov Eugene N.25ORCID,Tropsha Alexander2

Affiliation:

1. Office of Data Science National Toxicology Program, NIEHS Morrisville NC 27560 USA

2. Laboratory for Molecular Modeling Division of Chemical Biology and Medicinal Chemistry Beard Hall UNC Eshelman School of Pharmacy University of North Carolina Chapel Hill NC 27599 USA

3. Department of Computer Science University of North Carolina Chapel Hill NC 27599 USA

4. Toxinformatics Group National Toxicology Program, NIEHS Morrisville NC 27560 USA

5. Department of Pharmaceutical Sciences Federal University of Paraiba Joao Pessoa PB Brazil

Funder

National Institutes of Health

Publisher

Wiley

Subject

Organic Chemistry,Computer Science Applications,Drug Discovery,Molecular Medicine,Structural Biology

Reference64 articles.

1. Epidemiological and clinical characteristics of 99 cases of 2019 novel coronavirus pneumonia in Wuhan, China: a descriptive study

2. World Health Organization “Naming the coronavirus disease (COVID-19) and the virus that causes it ” Available at: https://www.who.int/emergencies/diseases/novel-coronavirus-2019/technical-guidance/naming-the-coronavirus-disease-(covid-2019)-and-the-virus-that-causes-it Accessed Jun 26 2020 2020.

3. World Health Organization “Statement on the second meeting of the International Health Regulations (2005) Emergency Committee regarding the outbreak of novel coronavirus (2019-nCoV) ” Available at: https://www.who.int/news-room/detail/30-01-2020-statement-on-the-second-meeting-of-the-international-health-regulations-(2005)-emergency-committee-regarding-the-outbreak-of-novel-coronavirus-(2019-ncov) Accessed Jun 26 2020 2020.

4. Worldwide Reduction in MERS Cases and Deaths since 2016

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