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In this work, a new series of 2-((1,5-diphenyl-1 H -1,2,4-triazol-3-yl)thio)- N -phenylacetamide derivatives ( 9a–k ) were synthesized and then evaluated for their antiepileptic activity against pentylenetetrazole (PTZ)-induced seizures in mice. The most potent synthesized compound was 3-chloro derivative,  9e , with an average latency time of 825 ± 281 seconds (mean ± SEM) and zero mortality. Moreover, compound  9e  was more active than phenytoin ( p  &lt; 0.1) but weaker than phenobarbital ( p  &lt; 0.05) in the PTZ test. Further, a molecular docking study was performed to investigate the modes of interactions between the GABA A  receptor and the synthesized compounds. Docking results indicate that all of the synthesized compounds place well into the active site of the GABA A  receptor. In addition, compound  9e,  with the highest anticonvulsant properties, demonstrates proper interactions and forms strong hydrogen bonds with key amino acid residues in the active site of the GABA A  receptor. Additionally, it has exhibited higher binding energy in the docking study compared to phenobarbital and phenytoin as the standard antiepileptic agents.

Synthesis, Docking and Antiepileptic Activity of New 2-((1,5-Diphenyl-1 H -1,2,4-Triazol-3-yl)Thio)- N -Phenylacetamide Derivatives