Molecular docking of an antianxiety drug molecule "3-[2-(1H-Benzimidazol-2-ylsulfan-yl) eth-yl]-1,3-oxazolidin-2-one"

"3-[2- (1H-Benzimidazol-2-ylsulfan-yl) eth-yl]-1,3-oxazolidin2-one" (OXB1), was synthesised, characterised and evaluated, in silico, its binding capacity to the active site of gamma-aminobutyric acid (GABA) located in the GABA type A receptor (GABAAR). The results obtained showed a similar affinity to the 3 main isoforms of the GABAAR subtypes: α2β2γ2, α3β2γ2 and α5β2γ2 with respectively 7.3, 7.0 and 7.2. Molecular dynamic explorations showed a high stability of the complex (OXB1-GABAAR). Moreover, the evaluation of the ADMET profile of OXB1 clearly showed that this chemical exhibits good pharmacokinetic and pharmacodynamic properties and is able to cross the blood brain barrier to reach the potential targets in the brain, suggesting that this molecule could be an effective and potential anxiolytic agent that could be used for in vivo explorations to strengthen the therapeutic arsenal against anxiety with more efficacy and less side effects.