Computationally Guided Design of Novel Selective Serotonin Reuptake Inhibitors

Abstract

Current selective serotonin reuptake inhibitor (SSRI) drugs such as paroxetine, fluoxetine and escitalopram are prescribed for mental health conditions such as anxiety and depression. However, there are still several unpleasant side effects which fuels the need for new designs. In this work, computational studies were conducted to design two novel drug candidates with improved docking scores than paroxetine, an existing SSRI drug. Homology analysis was carried out to determine the suitability of an organism for preclinical trials and revealed laboratory mouse (Mus musculus) to be a good candidate.