Identification of Serotonin Transporter Inhibitors from Selected Marine Alkaloids: A Molecular Docking and ADME Study

Abstract

One of the common mental illnesses that affect people worldwide is depression. It can impact people from all backgrounds and age groups. Despite having medications for depression, very few people respond to it in an efficient manner. Currently used anti-depressants show side effects like urine retention, nausea, weight gain, cardiovascular disorders, etc. Natural compounds are being evaluated for their therapeutic potential to eradicate these side effects. Metabolites obtained from marine organisms possess diverse beneficial effects. Various sponges, corals, and seaweeds contain compounds with magical properties to heal mental disorders. This study demonstrates the molecular docking of serotonin transporter (SERT) with some marine alkaloids. Results generated from PyRx virtual screening software shows that out of thirteen selected alkaloids, only gelliusine A have a higher binding affinity than the prescribed anti-depressant paroxetine. According to SwissADME, most of the selected alkaloids showed better absorption, distribution, metabolism and excretion (ADME) properties. But gelliusine A has low gastrointestinal absorption and does not cross blood-brain barrier (BBB). Further optimization and experimental investigations of these compounds are needed to enhance their properties to become better anti-depressants against reuptake of serotonin.