Investigation of the Biological Properties of Natural Products Using Experimental Approaches and In Silico Methods

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ORIGINAL RESEARCH

Published on 22 Feb 2024

Harnessing Brazilian biodiversity database: identification of flavonoids as potential inhibitors of SARS-CoV-2 main protease using computational approaches and all-atom molecular dynamics simulation

  • João Augusto Pereira da Rocha
  • Renato Araújo da Costa
  • Andreia do Socorro Silva da Costa
  • Elaine Cristina Medeiros da Rocha
  • Anderson José Bahia Gomes
  • Alencar Kolinski Machado
  • Solange Binotto Fagan
  • Davi do Socorro Barros Brasil
  • Anderson Henrique Lima e Lima
Harnessing Brazilian biodiversity database: identification of flavonoids as potential inhibitors of SARS-CoV-2 main protease using computational approaches and all-atom molecular dynamics simulation
doi 10.3389/fchem.2024.1336001
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