Machine Learning-Based Virtual Screening of Antibacterial Agents against Methicillin-Susceptible and Resistant Staphylococcus aureus

Author:

Fernandes Philipe Oliveira1ORCID,Dias Anna Letícia Teotonio1,dos Santos Júnior Valtair Severino1ORCID,Sá Magalhães Serafim Mateus2,Sousa Yamara Viana1,Monteiro Gustavo Claro3,Coutinho Isabel Duarte3ORCID,Valli Marilia4ORCID,Verzola Marina Mol Sena Andrade1,Ottoni Flaviano Melo1,Pádua Rodrigo Maia de1,Oda Fernando Bombarda5ORCID,dos Santos André Gonzaga5,Andricopulo Adriano Defini4ORCID,da Silva Bolzani Vanderlan3,Mota Bruno Eduardo Fernandes6,Alves Ricardo José1,de Oliveira Renata Barbosa1ORCID,Kronenberger Thales78ORCID,Maltarollo Vinícius Gonçalves1ORCID

Affiliation:

1. Departamento de Produtos Farmacêuticos, Faculdade de Farmácia, Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, Minas Gerais 31.270-901, Brazil

2. Departamento de Microbiologia, Instituto de Ciências Biológicas, Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, Minas Gerais 31.270-901, Brazil

3. Departamento de Química Orgânica, Instituto de Química, Universidade Estadual Paulista (UNESP), Araraquara, São Paulo 14.800-900, Brazil

4. Departamento de Física e Ciência Interdisciplinar, Instituto de Física, Universidade de São Paulo (USP), São Carlos, São Paulo 13.563-120, Brazil

5. Departamento de Fármacos e Medicamentos, Faculdade de Ciências Farmacêuticas, Universidade Estadual Paulista (UNESP), Araraquara 14.800-903, Brazil

6. Departamento de Análises Clínicas e Toxicológicas, Faculdade de Farmácia, Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, Minas Gerais 31.270-901, Brazil

7. Institute of Pharmacy, Pharmaceutical/Medicinal Chemistry and Tübingen Center for Academic Drug Discovery, Eberhard Karls University Tübingen, 72076 Tübingen, Germany

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

Funder

Bundesministerium f?r Bildung und Forschung

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

Pr?-Reitoria de Pesquisa, Universidade Federal de Minas Gerais

Conselho Nacional de Desenvolvimento Cient?fico e Tecnol?gico

Funda??o de Amparo ? Pesquisa do Estado de S?o Paulo

Ministerium f?r Wissenschaft, Forschung und Kunst Baden-W?rttemberg

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

Publisher

American Chemical Society (ACS)

Reference68 articles.

1. Colistin- and Carbapenem-Resistant Escherichia coli Harboring mcr-1 and bla NDM-5 , Causing a Complicated Urinary Tract Infection in a Patient from the United States

2. Epidemiology of β-Lactamase-Producing Pathogens

3. Waves of resistance: Staphylococcus aureus in the antibiotic era

4. Centers for Disease Control and Prevention. Antibiotic Resistance Threats in the United States, 2019, US Department of Health and Human Services, Centres for Disease Control2019.

5. Ten health issues WHO will tackle this year 2022 https://www.who.int/news-room/spotlight/ten-threats-to-global-health-in-2019. (accessed April 5, 2022).

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