In-Silico Screening of Jasmine Volatiles Against Human Serotonin Transporter for Antidepressant Potential

Depression is a major mood disorder associated with impaired monoaminergic neurotransmission, for which current antidepressants often show limited efficacy and adverse side effects. This has intensified interest in plant-derived compounds as safer therapeutic alternatives. Jasminum sambac is traditionally recognized for its mood-modulating properties and is rich in volatile organic compounds (VOCs) with potential neuroactive functions. In this study, floral volatiles of J. sambac were extracted using Soxhlet extraction, profiled through GC-MS analysis, and subsequently evaluated for their interaction with the human serotonin transporter (SERT) using molecular docking. GC–MS profiling revealed a diverse blend of monoterpenes, sesquiterpenes, benzenoids, and other aromatic derivatives, with key constituents including linalool, benzyl acetate, α-farnesene and germacrene-D. Docking studies demonstrated that germacrene-D exhibited the strongest binding affinity among jasmine volatiles (-7.9 kcal/mol), closely approaching the standard antidepressant fluoxetine (-8.9 kcal/mol). Hydrophobic interactions dominated the binding mechanism, with Ile172 serving as a conserved interacting residue for most compounds. These results suggested that selected J. sambac volatiles possess promising affinity toward SERT, supporting their potential role in modulating serotonergic signalling. Overall, this study provides molecular evidence for the antidepressant potential of jasmine floral metabolites and highlights their suitability for further pharmacological validation.