Cannabidiol interactions in the voltage-gated calcium channel by molecular docking: its role in the neuronal inhibitory mechanism

• Autor(a) principal: de Jesus Arruda, Gisele Evelin
• Data de Publicação: 2023
• Outros Autores: Silva Júnior, Gidelson José, Napoli Mendes, Nathalia, Napoli Mendes, Gustavo, de Lira Fernandes, Luana Carmélia, de Almeida Costa, Alessandra Emertice, Lucena Veiga da Silva, Joelmir
• Tipo de documento: Artigo
• Idioma: eng
• Título da fonte: Anais da Faculdade de Medicina de Olinda (Online)
• Texto Completo: https://afmo.emnuvens.com.br/afmo/article/view/283
• topic: Canabidiol; Analgésico; Modelagem de drogas; Canal de cálcio dependente de voltagem; Cannabidiol; Drug analgesic; Drug design; Voltage-gated calcium channel

Objective: to analyzer the interactions of cannabidiol in the CaV 3.2 through molecular docking. Methodology: this is a research with in silico approach, which CBD and gabapentin (GBP) were employed as test substances, and CaV 3.2 channel the target protein. Molecular docking experiments were realized by Dockthor. The drugs simulations were classified in order of highest affinity in the channel. The binding energy scores were linked using Student t-test by GraphPad Prism software, the values were significantly different when p < 0.05. Results: the spatial positions into CBD or GBP and CaV 3.2 were 1.000,000 conformers. Our data showed that the binding energies of CaV 3.2 channel and CBD or GBP were - 6.493 ± 0.07 and - 6.842 ± 0.19 kcal/mol, respectively. Those values did not show statistically difference (p = 0.08), suggesting that both drugs bind similarly the CaV 3.2, however both chemicals connected the distinct sites. Conclusions: CBD binds to CaV 3.2, which corroborates its blockade channel. Those data support the analgesic effect of CBD through the neuronal inhibitory pathway.