Valerenic Acid and its anxiolytic potential through interaction with GABAA receptors: an in silico study




Valerenic Acid; GABAA; Anxiety; In silico.


Objective: To analyze the anxiolytic potential of Valerenic Acid through in silico molecular coupling to GABAA-type receptors. Methodology: This was a quantitative, descriptive study with experimental character. To confirm the validity of the methodology during molecular coupling, a redocking was performed using the native molecule of Diazepam crystallized with the GABAA receptor. The interactions already presented by Diazepam with the receptor were used for comparative purposes with the Valerenic Acid interactions. The structures of the compounds were obtained by PubChem platform. For the three-dimensional representation of the structures was used ChimeraX program. To perform the entire docking procedure, Biovia Discovery Studio, Avogadro, AutoDock Tools and AutoDock Vina softwares were used. Results: It was found that among all demonstrated affinity values, taking into account their electronegativity, the acid Valerenic was the one who showed less energy expenditure. It is also noted that the compound in question violates only the LogP parameter, which makes it a good candidate for a possible new drug. Conclusion: Using in silico study, it was possible to analyze the anxiolytic potential of valerenic acid. Through the use of Diazepam and its interactions with the GABAA receptor as a parameter, it was possible to identify that Valerenic Acid has interactions with minimal energy expenditure, and consequently acceptable affinity values.

Author Biographies

José Gabriel Fontenele Gomes, Farmacêutico

Bacharelado em Farmácia pela Christus Faculdade do Piauí - CHRISFAPI. Especialista em Gestão e Docência do Ensino Superior (UniBF). Especialista em Farmácia Clínica e Hospitalar (UniBF).

Liliam With Monalisa Araujo Silva, Farmacêutica

Farmacêutica nas redes de farmácia São João (Quaraí-RS)

Weslley Tiago Bitencourt de Andrade, Farmacêutico


Anne Karolinne Melo de Andrade Gomes, Christus Faculdade do Piauí

Acadêmica de Farmácia na Christus Faculdade do Piauí - CHRISFAPI

Clara Rita de Sousa Magalhães, Christus Faculdade do Piauí

Acadêmica de Farmácia na Christus Faculdade do Piauí - CHRISFAPI

Ruth Silva de Mesquita, Christus Faculdade do Piauí

Acadêmica de Farmácia na Christus Faculdade do Piauí - CHRISFAPI

Pollyama Morais de Oliveira Gomes, Christus Faculdade do Piauí

Acadêmica de Farmácia na Christus Faculdade do Piauí - CHRISFAPI

Gabriel Felipe Alcobaça Silva, Christus Faculdade do Piauí

Acadêmico de Farmácia na Christus Faculdade do Piauí - CHRISFAPI

Neirigelson Ferreira de Barros Leite, Christus Faculdade do Piauí

Docente na Christus Faculdade do Piauí (CHRISFAPI), Licenciado em Química pela Universidade Federal do Piauí (UFPI), Mestrando em Química pela Universidade Estadual do Piauí (UESPI).


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How to Cite

GOMES, J. G. F. .; SILVA, L. W. M. A.; ANDRADE, W. T. B. de .; GOMES, A. K. M. de A.; MAGALHÃES, C. R. de S.; MESQUITA, R. S. de .; GOMES, P. M. de O.; SILVA, G. F. A.; LEITE, N. F. de B. . Valerenic Acid and its anxiolytic potential through interaction with GABAA receptors: an in silico study. Research, Society and Development, [S. l.], v. 10, n. 13, p. e07101320677, 2021. DOI: 10.33448/rsd-v10i13.20677. Disponível em: Acesso em: 8 dec. 2021.



Health Sciences