AI-Driven Discovery of SARS-CoV-2 Main Protease Fragment-like Inhibitors with Antiviral Activity <i>In Vitro</i>-Reference-Cited by-同舟云学术

AI-Driven Discovery of SARS-CoV-2 Main Protease Fragment-like Inhibitors with Antiviral Activity In Vitro

Published:2023-04-14 Issue:9 Volume:63 Page:2866-2880
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Saramago Luiz Carlos¹^ORCID,Santana Marcos V.¹,Gomes Bárbara Figueira¹^ORCID,Dantas Rafael Ferreira¹^ORCID,Senger Mario R.¹^ORCID,Oliveira Borges Pedro Henrique¹²^ORCID,Ferreira Vivian Neuza dos Santos³^ORCID,dos Santos Rosa Alice³^ORCID,Tucci Amanda Resende³^ORCID,Dias Miranda Milene³^ORCID,Lukacik Petra⁴⁵^ORCID,Strain-Damerell Claire⁴⁵^ORCID,Owen C. David⁴⁵^ORCID,Walsh Martin Austin⁴⁵^ORCID,Ferreira Sabrina Baptista²^ORCID,Silva-Junior Floriano Paes¹^ORCID

Affiliation:

1. LaBECFar-Laboratório de Bioquímica Experimental e Computacional de Fármacos, Instituto Oswaldo Cruz, Fundação Oswaldo Cruz, 21040-900 Rio de Janeiro, Brazil

2. LaSOPB-Laboratório de Síntese Orgânica e Prospecção Biológica, Instituto de Química, Universidade Federal do Rio de Janeiro, 21040-900 Rio de Janeiro, Brazil

3. LMMV-Laboratório de Morfologia e Morfogênese Viral (LMMV), Instituto Oswaldo Cruz, Fundação Oswaldo Cruz, 21040-900 Rio de Janeiro, Brazil

4. Diamond Light Source, Harwell Science and Innovation Campus, OX11 0DE Didcot, U.K.

5. Research Complex at Harwell, Harwell Science & Innovation Campus, OX11 0FA Didcot, U.K.

Funder

Centro de Pesquisas Aggeu Magalh?es, Funda??o Oswaldo Cruz

Conselho Nacional de Desenvolvimento Cient?fico e Tecnol?gico

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

Instituto Nacional de Ci?ncia e Tecnologia de F?rmacos e Medicamentos

Funda??o Carlos Chagas Filho de Amparo ? Pesquisa do Estado do Rio de Janeiro

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c00409

Reference87 articles.

1. Malleability of the SARS-CoV-2 3CL Mpro Active-Site Cavity Facilitates Binding of Clinical Antivirals

2. Elimination versus mitigation of SARS-CoV-2 in the presence of effective vaccines

3. The impact of economic freedom on COVID-19 pandemic control: the moderating role of equality

4. The emergence of SARS, MERS and novel SARS-2 coronaviruses in the 21st century

5. Insights into SARS-CoV-2 genome, structure, evolution, pathogenesis and therapies: Structural genomics approach

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