Abstract

Depression is recognized as one of the most prevalent global health issues, ranking second only to aging in its impact on the population. Terpenoids, a class of naturally occurring compounds, have shown promise in treating depression, particularly through their inhibition of two key enzymes: Monoamine Oxidase (MAO) and Indoleamine 2,3-Dioxygenase (IDO), both of which play significant roles in the condition. This study aimed to evaluate terpenoids as potential antidepressants by assessing their molecular properties and conducting docking studies based on ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) properties. 56 terpenoids were analyzed using Molinspiration for their molecular characteristics and bioactivity. Of these, 48 compounds complied with Lipinski’s Rule of Five, suggesting they were suitable for further investigation. The compounds were subsequently modeled in Chemsketch and their ADME properties were evaluated using PreADMET, with special attention paid to their blood-brain barrier (BBB) permeability and toxicity profiles. From the initial set, 25 terpenoids demonstrated promising antidepressant potential, with no carcinogenic activity observed, indicating their safety for therapeutic use. These findings suggest that terpenoids are effective candidates for the development of new antidepressant therapies. The study highlights the potential for commercially available terpenoids to be explored further as novel treatments for depression, offering new avenues for drug development in this critical area of mental health.