In silico analysis of the toxicity of Mellissa Officinalis L. metabolites in order to obtain new drugs

Authors

DOI:

https://doi.org/10.33448/rsd-v11i16.37606

Keywords:

Melissa officinalis L.; Anxiety; Natural products.

Abstract

Medicinal plants have been widely used for the treatment, prevention and cure of diseases, as they have been used for medicinal purposes by humanity since ancient times. Due to their therapeutic or toxic properties, they gained importance in popular and conventional medicine. Therefore, the present research aimed to evaluate, through in silico prediction, the toxicological parameters of Melissa officinalis L. in order to obtain new drug candidates from this species. It was a basic, experimental, cross-sectional, quantitative study carried out through the analysis of theoretical toxicity with a free admetSAR software. For the compound acetyl tributyl citrate, which for most parameters was not considered toxic, there is the possibility of being used alone as an antifungal, antibacterial, antileshimania and insecticide, since it belongs to the citral essential oil component. which is the majority present in M. officinallis. However, it is necessary that there is continuity of work using this species cultivated in the southern region of Tocantins, since it was verified a promising compound for future investigations in in vitro and in vivo tests, which may be a strong candidate for a new drug.

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Published

01/12/2022

How to Cite

NASCIMENTO, P. I. do .; OLIVEIRA, Y. S. de .; FRANCO, J. V. V. .; GAUDIOSO, K. G. C. .; LEÃO, N. M. L. .; SUZUKI, M. T.; FRANÇA JÚNIOR, M. F. de .; CONCEIÇÃO, O. de S. da .; SOUSA, S. F. de .; PEREIRA, M. A. B. . In silico analysis of the toxicity of Mellissa Officinalis L. metabolites in order to obtain new drugs. Research, Society and Development, [S. l.], v. 11, n. 16, p. e114111637606, 2022. DOI: 10.33448/rsd-v11i16.37606. Disponível em: https://rsdjournal.org/index.php/rsd/article/view/37606. Acesso em: 20 apr. 2024.

Issue

Vol. 11 No. 16

Section

Review Article

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Copyright (c) 2022 Pamela Inácio do Nascimento; Yngrid Silva de Oliveira; Jéssyka Viana Valadares Franco; Kamila Gomes Costa Gaudioso; Natallia Moreira Lopes Leão; Marise Tanaka Suzuki; Mosaniel Falcão de França Júnior; Olívia de Souza da Conceição; Sara Falcão de Sousa; Miréia Aparecida Bezerra Pereira

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