Molecular modeling, synthesis, and evaluation of 1-(4-methoxybenzofuran-5-yl)-3-phenylpropane-1, 3-dione for its anxiolytic potentiality

ABSTRACT

The disabling mental illness anxiety is gradually affecting the modern society in any age group worldwide. The searchfor novel bioactive entity from herbal origin for different disorders has become the center of attraction significantlyfrom the past few decades. Gamma-aminobutyric acid (GABA) is the primary inhibitory neurotransmitter known tobe responsible for the anxiolytic activity of most of the potent anxiolytic agents. All the available data of pongamol1-(4-methoxybenzofuran-5-yl)-3-phenylpropane-1, 3-dione (MPD) were based on natural or semi-synthetic source.The synthetic routes were using easily available source and quick, cost-effective, and high yielding process. MPD hastraditionally been acquired from natural sources mainly from the extracts of fruits of Pongamia pinnata and Pongamiaglabra, where the yield value and the yield time are the main drawbacks. Keeping in view of the above aspects in thepresent research, it was approached to synthesize and evaluate the anxiolytic potential 1-(methoxybenzofuran-5yl)-3-phenylpropane-1, 3-dione on experimental animals and docking procedure after its synthesis. The study of MPDon the gross behavior of mice showed a significant Central Nervous System (CNS) depressant effect. Furthermore,its anxiolytic activity was confirmed by observing its reduced locomotion of mice using actophotometer and elevatedplus-maze apparatus. The highest docking score was observed to be −3.22 than the diazepam (−3.21) against GammaAmino Butyric Acid-A (GABAA). The present study provides a promising anxiolytic agent, MPD, which has itspotency due to the GABAA receptor binding and causing the mitigation of the symptoms of anxiety.