Structure-based identification of bioactive compounds as trace amine-associated receptor 1 agonists for the therapeutic management of major depressive disorder.

ABSTRACT: The global burden of major depressive disorder (MDD) drives ongoing efforts to develop safer and more targeted treatment strategies. Modern advances have identified trace amine-associated receptor 1 (TAAR1) as a promising non-monoaminergic target with demonstrated efficacy in treating neuropsychiatric conditions, including MDD. Discovering TAAR1 agonists holds promise for modulating neuropsychiatric disorders while potentially reducing the common side effects associated with conventional therapies. This study employed a structure-based virtual screening approach to identify potential TAAR1 agonists from the IMPPAT database, a curated collection of Indian medicinal plant-derived bioactive phytoconstituents. The initial filtering was done on the compounds based on Lipinski's rule of five, wh

SUBMITTER: Elasbali AM 

PROVIDER: S-EPMC12324101 | biostudies-literature | 2025

REPOSITORIES: biostudies-literature