ABSTRACT Objective: This study aimed to evaluate the anticonvulsant potential of phytochemicals from Acacia farnesiana using molecular docking and compare their binding affinities with ethosuximide, a common anticonvulsant. Additionally, we conducted a comprehensive ADMET analysis of leucoxol, a promising phytochemical with strong docking scores against leucine-rich glioma-inactivated protein 1 (PDB ID-5Y30). Methods: Auto Dock Vina was employed for in silico analysis to predict binding affinities. Leucoxol exhibited significantly higher binding affinity (-7.9 kcal/mol) than ethosuximide (-4.9 kcal/mol), suggesting superior anticonvulsant potential. We thoroughly examined leucoxol’s ADMET profile to assess its pharmacokinetic and toxicological properties. Results: Comparative analysis indicated that leucoxol may be a more effective anticonvulsant with reduced toxicity compared to ethosuximide. It displayed strong binding and a favorable ADMET profile. Conclusion: Phytochemicals from Acacia farnesiana, especially leucoxol, exhibit promising binding affinities compared to ethosuximide, indicating their potential as anticonvulsant agents. Leucoxol, in particular, demonstrates strong anticonvulsant potential and a favorable ADMET profile, making it a candidate for further research as an anticonvulsant with reduced toxicity. However, additional experimental and clinical investigations are needed to confirm their efficacy and safety in treating convulsive disorders.
Read full abstract