Objective <p>The purpose of this research was to investigate the effects of <i>Citrus maxima</i> and its inclusion complex on neuropharmacological diseases, such as depression and anxiety, and its potential mechanisms.</p> Materials and methods <p>The essential oil (EO) was extracted and collected using a Clevenger apparatus. A gas Chromatography-Mass Spectroscopy (GCMS) study was performed to analyze the chemical constituents of EO. The Inclusion complex was prepared using the paste complexation technique and its characterization was done by Karl Fisher Titration (KFT), X-ray diffraction (XRD), and scanning electron microscopy (SEM). Swiss albino mice about 3 months old, were purchased from the establishment of Environment Controlled Facilities. Behavioral tests conducted were the Open Field Test (OFT), Elevated Plus Maze (EPM), Tail Suspension Test (TST), and Forced Swimming Test (FST).</p> Results <p>The SEM, XRD, and KFT analysis shows that the inclusion complex formed by using the essential oil and β-CD shows significant results in forming complexation, that helps in proper entrapment of the essential oil thus protecting it from various environmental factors. After conducting the toxicity study, behavioral studies as well as the neurochemical examinations it is concluded that the <i>Citrus maxima</i> essential oil used in a concentration of 100&#xa0;mg/kg along with its inclusion complex used in the concentration of 50, 100&#xa0;mg/kg shows significant results.Mechanism of action shows the involvement of GABA and serotonin to be the neurotransmitters associated with the study.</p> Conclusion <p>EO extracted from the peel of <i>Citrus maxima</i> and its inclusion complex demonstrates strong neuropharmacological effects on anxiety and depression models in mice, indicating the involvement of GABAergic and serotonergic pathways.</p> Graphical Abstract <p></p>