Anxiety disorders are a growing public health concern, often underestimated in both diagnosis and treatment. Current pharmacological therapies, although effective, are frequently limited by adverse effects and toxicity, highlighting the need for safer and more efficient alternatives. In this study, we investigated the potential of natural compounds as modulators of the GABA_A receptor, a key target in anxiolytic therapy. Using a bioinformatics approach, we performed molecular docking and pharmacokinetic analyses to evaluate the interactions of fifteen plant-derived compounds with the benzodiazepine binding site of the receptor. Several compounds displayed favorable binding affinities and physicochemical properties consistent with drug-likeness criteria. Distribution predictions indicated good blood-brain barrier permeability for most compounds. Notably, myricetin demonstrated both strong predicted binding affinity and stable interactions within the binding site. These results suggest that the analyzed natural compounds may represent promising candidates for the development of new, safer anxiolytic therapies, warranting further experimental validation.

Key words: natural compounds, molecular docking, GABA_A receptor, anxiolytic effects

Corresponding author’s e-mail: paun.andra-maria22@s.bio.unibuc.ro