Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations-Reference-Cited by-同舟云学术

Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations

Published:2021-02-22 Issue:3 Volume:7 Page:467-475
ISSN:2374-7943
Container-title:ACS Central Science
language:en
Short-container-title:ACS Cent. Sci.

Author:

Zhang Chun-Hui¹,Stone Elizabeth A.¹^ORCID,Deshmukh Maya²³^ORCID,Ippolito Joseph A.¹²,Ghahremanpour Mohammad M.¹^ORCID,Tirado-Rives Julian¹^ORCID,Spasov Krasimir A.²,Zhang Shuo⁴,Takeo Yuka⁴,Kudalkar Shalley N.²,Liang Zhuobin⁵,Isaacs Farren⁵^ORCID,Lindenbach Brett⁴,Miller Scott J.¹^ORCID,Anderson Karen S.²⁶^ORCID,Jorgensen William L.¹^ORCID

Affiliation:

1. Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107, United States

2. Department of Pharmacology, Yale University School of Medicine, New Haven, Connecticut 06520-8066, United States

3. M. D. – Ph. D. Program, Yale University School of Medicine, New Haven, Connecticut 06520-8066, United States

4. Department of Microbial Pathogenesis, Yale University School of Medicine, New Haven, Connecticut 06536-0812, United States

5. Department of Molecular, Cellular and Developmental Biology, Yale University, New Haven, Connecticut 06520, United States

6. Department of Molecular Biophysics and Biochemistry, Yale University School of Medicine, New Haven, Connecticut 06520-8066, United States

Funder

National Institute of Allergy and Infectious Diseases

Division of Graduate Education

National Institute of General Medical Sciences

Publisher

American Chemical Society (ACS)

Subject

General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acscentsci.1c00039

Reference29 articles.

1. A new coronavirus associated with human respiratory disease in China

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4. An Overview of Severe Acute Respiratory Syndrome–Coronavirus (SARS-CoV) 3CL Protease Inhibitors: Peptidomimetics and Small Molecule Chemotherapy

5. Drug Development and Medicinal Chemistry Efforts toward SARS‐Coronavirus and Covid‐19 Therapeutics

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