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<p>Thymol (THY), a naturally occurring monoterpenoid phenol, exhibits a broad spectrum of biological activities, including anticonvulsant properties. However, the possible action mechanism behind this fact has yet to be discovered. This study aimed to evaluate the anticonvulsant effects of THY with possible molecular insights through in vivo and in silico studies. For this, we performed isoniazid (INH) and pentylenetetrazole (PTZ)-induced convulsion studies in <i>Swiss</i> mice, along with molecular docking studies with the GABA<sub>A</sub> receptor subunits. Our in vivo study reveals that THY (especially at 25, and 50&#xa0;mg/kg) significantly (<i>p</i> &lt; 0.05) and dose-dependently delayed the onset of convulsion and decreased the duration of convulsion along with the mortality rates, thereby increasing protection in animals alone and/or with the standard GABAergic anticonvulsant drug diazepam (DZP) (2&#xa0;mg/kg). Interestingly, THY antagonized both INH and PTZ-induced convulsions more profoundly with DZP in animals. In silico studies demonstrate that THY showed a strong binding affinity against GABA<sub>A</sub> (− 6.6&#xa0;kcal/mol) by forming several bonds. THY may be a potential candidate for anticonvulsant therapy to manage convulsions and their associated comorbidities in animals.</p>

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GABAergic Anticonvulsant Prospects of Thymol Through In Vivo and In Silico Studies

  • 期刊论文

  • 发表日期：

    2025年11月21日

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  • Md. Torequl Islam,
  • Md. Sakib Al Hasan,
  • Jannatul Ferdous,
  • Md. Shimul Bhuia,
  • Irfan Aamer Ansari,
  • Siddique Akber Ansari,
  • Henrique Douglas Melo Coutinho

摘要

Thymol (THY), a naturally occurring monoterpenoid phenol, exhibits a broad spectrum of biological activities, including anticonvulsant properties. However, the possible action mechanism behind this fact has yet to be discovered. This study aimed to evaluate the anticonvulsant effects of THY with possible molecular insights through in vivo and in silico studies. For this, we performed isoniazid (INH) and pentylenetetrazole (PTZ)-induced convulsion studies in Swiss mice, along with molecular docking studies with the GABAA receptor subunits. Our in vivo study reveals that THY (especially at 25, and 50 mg/kg) significantly (p < 0.05) and dose-dependently delayed the onset of convulsion and decreased the duration of convulsion along with the mortality rates, thereby increasing protection in animals alone and/or with the standard GABAergic anticonvulsant drug diazepam (DZP) (2 mg/kg). Interestingly, THY antagonized both INH and PTZ-induced convulsions more profoundly with DZP in animals. In silico studies demonstrate that THY showed a strong binding affinity against GABAA (− 6.6 kcal/mol) by forming several bonds. THY may be a potential candidate for anticonvulsant therapy to manage convulsions and their associated comorbidities in animals.