Volume 21, Issue 12 e202400285
Research Article

Development of an Antiviral Medicinal Plant and Natural Product Database (avMpNp Database) from Biodiversity

Daniela Quadros de Azevedo

Daniela Quadros de Azevedo

Departamento de Produtos Farmacêuticos, Faculdade de Farmácia, Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG. 31270–901 Brazil

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João Vinícius Viera Nóia

João Vinícius Viera Nóia

Departamento de Ciência da Computação, Instituto de Ciências Exatas, Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, Brazil

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Yasmim Carla M. Ribeiro

Yasmim Carla M. Ribeiro

Departamento de Ciência da Computação, Instituto de Ciências Exatas, Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, Brazil

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Raphael Alves dos Reis

Raphael Alves dos Reis

Departamento de Ciência da Computação, Instituto de Ciências Exatas, Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, Brazil

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Paulo Henrique Otoni Ribeiro

Paulo Henrique Otoni Ribeiro

Departamento de Ciência da Computação, Instituto de Ciências Exatas, Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, Brazil

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Gustavo Almeida Moura

Gustavo Almeida Moura

Departamento de Ciência da Computação, Instituto de Ciências Exatas, Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, Brazil

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Pamela Mendes

Pamela Mendes

Departamento de Ciência da Computação, Instituto de Ciências Exatas, Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, Brazil

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Ana Beatriz Barbosa de Souza

Ana Beatriz Barbosa de Souza

Departamento de Produtos Farmacêuticos, Faculdade de Farmácia, Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG. 31270–901 Brazil

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Sofia Carpini Mermejo

Sofia Carpini Mermejo

Departamento de Produtos Farmacêuticos, Faculdade de Farmácia, Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG. 31270–901 Brazil

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Mateus Sá Magalhães Serafim

Mateus Sá Magalhães Serafim

Departamento de Microbiologia, Instituto de Ciências Biológicas, Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG, Brazil

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Thaís Helena Maciel Fernandes

Thaís Helena Maciel Fernandes

Departamento de Matéria Prima, Faculdade de Farmácia, Universidade Federal do Rio Grande do Sul (UFRGS), Rio Grande do Sul, RS, Brazil

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Anthony J. O'Donoghue

Anthony J. O'Donoghue

Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego (UCSD), San Diego, CA, US

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Alessandra C. Faria Aguiar Campos

Alessandra C. Faria Aguiar Campos

Departamento de Ciência da Computação, Instituto de Ciências Exatas, Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, Brazil

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Sérgio Vale Aguiar Campos

Sérgio Vale Aguiar Campos

Departamento de Ciência da Computação, Instituto de Ciências Exatas, Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, Brazil

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Vinícius Gonçalves Maltarollo

Corresponding Author

Vinícius Gonçalves Maltarollo

Departamento de Produtos Farmacêuticos, Faculdade de Farmácia, Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG. 31270–901 Brazil

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Rachel Oliveira Castilho

Corresponding Author

Rachel Oliveira Castilho

Departamento de Produtos Farmacêuticos, Faculdade de Farmácia, Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG. 31270–901 Brazil

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First published: 15 November 2024

Abstract

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 Mpro and PLpro enzymatic inhibition assays were performed for available compounds resulting in IC50 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.

Graphical Abstract

Conflict of Interests

The authors declare no conflict of interest.

Data Availability Statement

The data that support the findings of this study are available from the corresponding author upon reasonable request.

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