Background: In the present study, 4, 5-disubstituted triazol-3-thione derivatives were
synthesized and evaluated for anticonvulsant activity along with neurotoxicity determination.
Methods: The synthesized compounds were characterized using FTIR, 1H-NMR and MS. The anticonvulsant
activity was assessed by Maximal Electroshock (MES) test and subcutaneous pentylenetetrazole
(scPTZ) tests and neurotoxicity was assessed by rotarod test. Molecular docking
was also performed to study the interactions of compounds with LYS329 residue of gamma amino
butyric acid aminotransferase (GABA-AT) using Autodock 4.2 software.
Results: The compounds 7a and 9a with significant pharmacological activity were also found to
interact with LYS329 residue of GABA-AT with H-bond with a docking score of -5.92 kcal/mol
(Ki = 41.99 μM) and -5.87 kcal/mol (Ki = 49.83 μM) respectively.
Conclusion: Most of the compounds were found to be active in MES test but only seven showed
protection in scPTZ test.