Triagem in silico de compostos com atividade ansiolítica encontrados na espécie Magnolia obovata

Camila Moreira Caetano Vaz
GIOVANNA SIQUEIRA BOCCHI
OrcID
LEONARDO LUIZ BORGES
OrcID

Keywords

Plantas Medicinais
Efeito Central
Modelagem Farmacofórica
in silico

Abstract

Magnolia obovata, known as “Japanese cucumber”, is a deciduous tree of Asian origin, constituting a medicinal plant due to its anti-inflammatory, anxiolytic, antidepressant effects, among other central effects, already demonstrated in the literature. The objective of this study was to suggest the mechanisms of action for the effects on the central nervous system of the compounds identified in the species M. obovata, especially regarding the anxiolytic effect currently sought with the use of the plant. Nineteen compounds present in M. obovata were identified, with only 2 molecules (alpha-eudesmol and gamma-eudesmol) showing in silico pharmacokinetic and toxicological properties favorable to anxiolytic bioactivity. Such molecules inhibit acylcarnitine hydrolase and increase free acylcarnitine, possibly generating an anxiolytic effect. Pharmacophoric modeling of those molecules showed 6 interaction points with the 5 most potent known ligands of acylcarnitine hydrolase and such structural similarity is promising for acting on this target. There are advantages of the alternative mechanism of action of this compound in relation to current anxiolytics, which could be used to formulate new therapies in the treatment of anxiety disorders. The results obtained here open perspectives for tests in in vitro and in vivo models, aiming to confirm the results of the computational analyses.

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Triagem in silico de compostos com atividade ansiolítica encontrados na espécie Magnolia obovata . Rev Fitos [Internet]. 2024 Sep. 27 [cited 2024 Nov. 21];18. Available from: https://revistafitos.far.fiocruz.br/index.php/revista-fitos/article/view/1661
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