Bronchodilator, erectogenic, and aphrodisiac effects of thymol, carvacrol, and their acetate derivatives: In vivo, ex vivo, and in silico insights
Abstract
Context: Thymol and carvacrol are components of many essential oils known to exert smooth muscle relaxation. Aims: To evaluate the relaxant effect of thymol, carvacrol, and their acetate derivatives on isolated tracheal and penile corpus cavernosum smooth muscles of guinea pigs, assess aphrodisiac activity in rats, and explore the potential biological targets via network pharmacology and molecular docking. Methods: Organ bath experiments were conducted to assess ex vivo relaxant effect, while in vivo aphrodisiac activity was evaluated in rats by monitoring mount latency, mount frequency, intromission latency, intromission frequency, and ejaculation latency. Computational methods were used to predict pharmacokinetic and physicochemical properties, as well as potential gene targets for the compounds. Molecular docking was performed to study interactions with BK potassium channels, which were suspected to mediate the relaxant effects. Results: Thymol acetate produced the most relaxant effect on bronchial and penial muscles, followed by thymol, carvacrol acetate, and then carvacrol. Iberiotoxin prevented this relaxant effect, confirming the involvement of potassium channels. Administration of thymol and thymol acetate to rats significantly improved all aphrodisiac parameters. Computational analysis revealed a high number of gene targets, including potassium channels. Molecular docking revealed the acetylated variants to bind to a modulatory interface within BK potassium…
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