Design, synthesis, molecular docking and pharmacological evaluation of novel triazine-based triazole derivatives as potential anticonvulsant agents

Triazine-linked triazole compounds (4a-j) were designed, synthesized, and then examined for their anticon-vulsant abilities. Compounds 4e, 4f, 4g, 4i, and 4j displayed significant anticonvulsant activity in both maximum electroshock seizure (MES) and pentylenetetrazole (PTZ) induced seizure during the preliminary screening. The phase II anticonvulsant activity statistics revealed that compounds 4e, 4f, 4g, 4i, and 4j demonstrated excellent activity as compared to the conventional drugs methaqualone and valproate, supporting the potential of these triazine-linked triazole analogues as novel anticonvulsant agents. To take use of the findings, computational parameters including docking analysis and drug-likeness prediction were carried out. Molecular modelling studies supported the essential pharmacophoric information that the structure activity relationship offered. The triazine-linked triazole analogues that were investigated might be viewed as helpful models for future research and derivatization.

Automated summary

This study designed and synthesized triazine-linked triazole compounds and evaluated their anticonvulsant abilities. The results showed that some of these compounds exhibited significant anticonvulsant activity and could serve as potential novel anticonvulsant agents. Computational analysis also supported the pharmacophoric characteristics of these compounds. Therefore, these triazine-linked triazole analogues may contribute to future research and development.