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

Zhang, Chun-Hui; Stone, Elizabeth A; Deshmukh, Maya; Ippolito, Joseph A; Ghahremanpour, Mohammad M; Tirado-Rives, Julian; Spasov, Krasimir A; Zhang, Shuo; Takeo, Yuka; Kudalkar, Shalley N; Liang, Zhuobin; Isaacs, Farren; Lindenbach, Brett; Miller, Scott J; Anderson, Karen S; Jorgensen, William L

Zhang, Chun-Hui; Stone, Elizabeth A; Deshmukh, Maya; Ippolito, Joseph A; Ghahremanpour, Mohammad M; Tirado-Rives, Julian; Spasov, Krasimir A; Zhang, Shuo; Takeo, Yuka; Kudalkar, Shalley N; Liang, Zhuobin; Isaacs, Farren; Lindenbach, Brett; Miller, Scott J; Anderson, Karen S; Jorgensen, William L.

Afiliação

Zhang CH; Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107, United States.
Stone EA; Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107, United States.
Deshmukh M; Department of Pharmacology, Yale University School of Medicine, New Haven, Connecticut 06520-8066, United States.
Ippolito JA; M. D. - Ph. D. Program, Yale University School of Medicine, New Haven, Connecticut 06520-8066, United States.
Ghahremanpour MM; Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107, United States.
Tirado-Rives J; Department of Pharmacology, Yale University School of Medicine, New Haven, Connecticut 06520-8066, United States.
Spasov KA; Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107, United States.
Zhang S; Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107, United States.
Takeo Y; Department of Pharmacology, Yale University School of Medicine, New Haven, Connecticut 06520-8066, United States.
Kudalkar SN; Department of Microbial Pathogenesis, Yale University School of Medicine, New Haven, Connecticut 06536-0812, United States.
Liang Z; Department of Microbial Pathogenesis, Yale University School of Medicine, New Haven, Connecticut 06536-0812, United States.
Isaacs F; Department of Pharmacology, Yale University School of Medicine, New Haven, Connecticut 06520-8066, United States.
Lindenbach B; Department of Molecular, Cellular and Developmental Biology, Yale University, New Haven, Connecticut 06520, United States.
Miller SJ; Department of Molecular, Cellular and Developmental Biology, Yale University, New Haven, Connecticut 06520, United States.
Anderson KS; Department of Microbial Pathogenesis, Yale University School of Medicine, New Haven, Connecticut 06536-0812, United States.
Jorgensen WL; Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107, United States.

ACS Cent Sci ; 7(3): 467-475, 2021 Mar 24.

Article em En | MEDLINE | ID: mdl-33786375

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Guideline Idioma: En Revista: ACS Cent Sci Ano de publicação: 2021 Tipo de documento: Article País de afiliação: Estados Unidos País de publicação: Estados Unidos

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