Development of an Antiviral Medicinal Plant and Natural Product Database (avMpNp Database) from Biodiversity
The construction of compound databases (DB) is a strategy for the rational search of bioactive compounds and drugs for new and old diseases. In order to bring greater impact to drug discovery, we propose the development of a DB of bioactive antiviral compounds. Several research groups have presented evidence of the antiviral activity of medicinal plants and compounds isolated from these plants. We believe that compiling these discoveries in a DB would benefit the scientific research community and increase the speed to discover new potential drugs and medicines. Thus, we present the Antiviral Medicinal Plant and Natural Product DB (avMpNp DB) as an important source for acquiring, organizing, and distributing knowledge related to natural products and antiviral drug discovery. The avMpNp DB contains a series of chemically diverse compounds with drug-like profiles. To test the potential of this DB, SARS-CoV-2 M<sup>pro</sup> and PL<sup>pro</sup> enzymatic inhibition assays were performed for available compounds resulting in IC<sub>50</sub> values ranging from 6.308±0.296 to 15.795±0.155 μM. As a perspective, artificial intelligence tools will be added to implement computational predictions, as well as other chemical functionalities that allow data validation.
Authors
- Vinícius Gonçalves Maltarollo (ORCID: https://orcid.org/0000-0001-9675-5907)
- Alessandra Faria-Campos (ORCID: https://orcid.org/0000-0002-8060-0684)
- Anthony J. O’Donoghue (ORCID: https://orcid.org/0000-0001-5695-0409)
- Ruídonaldo da Costa Brito dos Reis
- Rachel Oliveira Castilho (ORCID: https://orcid.org/0000-0003-4882-4992)
- Gustavo Moura
- Sérgio Rodrigo Vale (ORCID: https://orcid.org/0000-0002-3983-6214)
- Paulo Henrique Otoni Ribeiro (ORCID: https://orcid.org/0000-0002-9118-6597)
- Mateus Sá Magalhães Serafim (ORCID: https://orcid.org/0000-0002-7505-8659)
- Thaís Helena Maciel Fernandes (ORCID: https://orcid.org/0000-0001-5910-0792)
- Daniela Quadros de Azevedo (ORCID: https://orcid.org/0000-0002-9413-619X)
- João Vinícius Vieira Nóia (ORCID: https://orcid.org/0000-0002-3780-178X)
- Ana Claudia Siqueira De Souza
- P.M.M. Mendes (ORCID: https://orcid.org/0000-0001-6047-2016)
- Yasmim Carla M. Ribeiro
- Sofia Carpini Mermejo
Institutions
- Universidade Federal de Minas Gerais (BR)
- Universidade Federal do Rio Grande do Sul (BR)
- University of California San Diego (US)
- University of Montana (US)
Publication Details
- Journal
- Chemistry & Biodiversity
- Published
- 2024-11-15
- DOI
- https://doi.org/10.1002/cbdv.202400285
- Primary Topic
- Computational Drug Discovery Methods
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Coordenação de Aperfeiçoamento de Pessoal de Nível Superior
- Conselho Nacional de Desenvolvimento Científico e Tecnológico
- Fundação de Amparo à Pesquisa do Estado de Minas Gerais
- Universidade Federal de Minas Gerais