Publication

Abstract : Background: A series of new class of twenty four 1, 4-benzodizepines were designed andby using molecular docking study with GABAA receptor, high scoring fourteen molecules weresynthesized from this library. Binding affinity of ligands towards GABAA was evaluated on the basis ofdock score and bonding interactions like hydrogen bonds, hydrophobic bonds and pi-stacking.Methods: All compounds were found to possess a good dock score, but varied in the formation ofbonding interactions. Methoxy group substituted ligands showed particularly very important role inthese interactions. All the synthesized molecules were characterized by IR, 1H-NMR and Massspectrometric data and investigated for their antianxiety and antiepileptic actions.Conclusion: Compound 3-(3-ethoxy-4-hydroxybenzylidene)-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one was found to possess very effective in both the activities. All results, docking as well aspharmacological evaluations were compared to diazepam.