Structure-Based Identification of Naphthoquinones and Derivatives as Novel Inhibitors of Main Protease M<sup>pro</sup> and Papain-like Protease PL<sup>pro</sup> of SARS-CoV-2-Reference-Cited by-同舟云学术

Structure-Based Identification of Naphthoquinones and Derivatives as Novel Inhibitors of Main Protease M^pro and Papain-like Protease PL^pro of SARS-CoV-2

Published:2022-08-12 Issue:24 Volume:62 Page:6553-6573
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Santos Lucianna H.¹,Kronenberger Thales²³⁴^ORCID,Almeida Renata G.⁵,Silva Elany B.⁶^ORCID,Rocha Rafael E. O.¹,Oliveira Joyce C.⁵,Barreto Luiza V.¹,Skinner Danielle⁶,Fajtová Pavla⁶⁷,Giardini Miriam A.⁶^ORCID,Woodworth Brendon⁸,Bardine Conner⁹^ORCID,Lourenço André L.⁹,Craik Charles S.⁹^ORCID,Poso Antti²³^ORCID,Podust Larissa M.⁶^ORCID,McKerrow James H.⁶^ORCID,Siqueira-Neto Jair L.⁶^ORCID,O’Donoghue Anthony J.⁶^ORCID,da Silva Júnior Eufrânio N.⁵,Ferreira Rafaela S.¹^ORCID

Affiliation:

1. Department of Biochemistry and Immunology, Federal University of Minas Gerais, Belo Horizonte, Minas Gerais 31270-901, Brazil

2. Department of Oncology and Pneumonology, Internal Medicine VIII, University Hospital Tübingen, Otfried-Müller-Straße 10, DE72076 Tübingen, Germany

3. School of Pharmacy, Faculty of Health Sciences, University of Eastern Finland, 70211 Kuopio, Finland

4. Institute of Pharmacy, Pharmaceutical/Medicinal Chemistry and Tübingen Center for Academic Drug Discovery (TüCAD2), Eberhard Karls University Tübingen, Auf der Morgenstelle 8, 72076 Tübingen, Germany

5. Institute of Exact Sciences, Department of Chemistry, Federal University of Minas Gerais, Belo Horizonte, Minas Gerais 31270-901, Brazil

6. Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, 9500 Gilman Drive, La Jolla, California 92093-0657, United States

7. Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, 16610 Prague, Czech Republic

8. Department of Medicine, Division of Infectious Diseases, University of California San Diego, La Jolla, California 92093, United States

9. Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, California 94143, United States

Funder

Royal Society

Funda??o de Amparo ? Pesquisa do Estado de Minas Gerais

National Institute of Allergy and Infectious Diseases

Conselho Nacional de Desenvolvimento Cient?fico e Tecnol?gico

Alexander von Humboldt-Stiftung

Coordena??o de Aperfei?oamento de Pessoal de N?vel Superior

Publisher

American Chemical Society (ACS)