1. Cannabidiol interactions in the voltage-gated calcium channel by molecular docking
- Author
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Gisele Evelin de Jesus Arruda, Gidelson José Silva Júnior, Nathalia Napoli Mendes, Gustavo Napoli Mendes, Alessandra Emertice de Almeida Costa, Luana Carmélia de Lira Fernandes, and Joelmir Lucena Veiga da Silva
- Subjects
Cannabidiol ,Drug analgesic ,Drug design ,Voltage-gated calcium channel ,Medicine - Abstract
Objective: to analyzer the interactions of cannabidiol in the CaV3.2 through molecular docking. Methodology: this is a research with in silico approach, which CBD and gabapentin (GBP) were employed as test substances, and CaV3.2 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 (p < 0.05). Results: the spatial positions into CBD or GBP and CaV3.2 were 1,000,000 conformers. Our data showed that the binding energies of CaV3.2 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 CaV3.2, however both chemicals connected the distinct sites. Conclusions: CBD binds to CaV3.2, which corroborates its blockade channel. Those data support the analgesic effect of CBD through the neuronal inhibitory pathway.
- Published
- 2023
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