Molecular Docking, Network Pharmacology, and Antioxidant Assays Suggesting Therapeutic Potential of L-Theanine in the Treatment of Mood Disorders

Abstract

Aim: In the present study, the authors carried out the molecular docking, network pharmacology, and antioxidant efficacy studies on L-Theanine. Results: The findings suggested the interaction between L-Theanine and MAO, highlighting the ligand's potential as an MAO-A and MAO-B inhibitor. The defined grid box parameters and detailed mapping of interactions lend credibility to the docking results, supporting the hypothesis that L-Theanine may inhibit MAO-A activity. Network pharmacology analysis suggested the possible interaction with interactions with MgATP, MgADP, phosphate, and TAS1R1, further suggesting the possible modulation of hedonic and anhedonic behavior. The antioxidant assays suggested that L-Theanine demonstrates radical-scavenging ability in the DPPH assay, reduces ferric ions (Fe3+) to ferrous ions (Fe2+) and minimizes metal-induced oxidative reactions in the FRAP assay, and general antioxidant effectiveness in the ABTS assay. Conclusion: The present study suggested the possible interaction of L-theanine with MAO-A and B, modulates taste and exerts antioxidant activity, further providing a mechanistic basis for its therapeutic potential.