Unveiling the Interactions: Molecular Docking of Antidepressants with Human SERT and Mouse Pendrin

Since depression is a common mental illness affecting an estimated 5% of people worldwide, investigators are encouraged to develop effective antidepressants. According to the monoamine-deficiency hypothesis, the underlying path physiology of depression is a deficiency of some neurotransmitters (serotonin, nor epinephrine, or dopamine) in the central nervous system. The neurotransmitter serotonin has drawn the most attention concerning depression. That leads to higher life satisfaction, convergent thinking, higher ratings of mindfulness, lower ratings of depression, and anxiety. In this study, we investigated the influences of various plant bioactive compounds which are used as antidepressants Hypericine, Hyperforine, Crocetine, Vitexine and Psilocybin against serotonin and mouse pendrine (anion exchanger) and determined their kinetics. We perform molecular docking study by using Schrödinger software (maestro v 10.2). According to the molecular docking study, Crocetine, Vitexine, Psilocybin which are the most active inhibitors have the glide scores with -6.08kcal/mol, - 6.78kcal/mol, -6.55kcal/mol against various serotonin and mouse pendrine anion exchanger, respectively. The binding analysis of the inhibitor-enzyme complexes has revealed that their inhibition mechanisms result from interactions with the critical residue of the catalytic active site to produce novel derivatives. According to our findings, these compounds have good receptor binding affinity, with Crocetine, Vitexine, and Psilocybin having the highest binding affinity.