Based on the fact that three scaffolds; viz. murrayanine, Schiff's base, and hydantoin have been reported to exhibit potent anti-convulsant activity, therefore, all three of them were integrated to shape a hybrid molecule which is believed to demonstrate excellent anti-convulsant activity owing to the incorporation of scaffolds. The present research involved rational designing of anti-convulsant agents having murrayanine scaffold linked with hydantoin moiety via Schiff's base linkage with an objective that the analogs will demonstrate enhanced anti-convulsant activity than their parents and also show comparable activity with the standard drug. The anti-convulsant activity was screened at dose levels of 30, 100, and 300 mg/kg utilizing maximal electroshock-induced seizure (MES) threshold test where molecule (5) displayed the most potent activity at doses 30 mg/kg (0.5 hr) and 100 mg/kg (4 hr), respectively, with comparison to the standard drug, phenytoin. In contrast, the compound (8) compound exhibited activity at 100 mg/kg (0.5 hr) and 300 mg/ kg (4 hr), respectively in male Albino Swiss mice. The research revealed the prospective of murrayanine-Schiff's base-hydantoin derivatives as active anti-convulsant activity. The characterization data were found to be in full agreement with the structural aspects. The molecular docking study revealed the possible interaction of the ligands with the NaVAb voltage-gated sodium channel, thereby proving the possible mechanism of molecule action. This study will certainly promote researchers in the rational synthesis of hybrid molecules with pronounced anti-epileptic activity.