Six drugs were chosen for MD analysis based on binding energy and the number of hydrogen bonds in docking analysis. Six simulations were performed using the GROMACS 5.1.4 simulation suite for FDA-approved drugs containing Nilotinib, Imatinib, and dihydroergotamine for 3clpro and Lapatinib, Dexasone...
Fluoxetine is an FDA approved drug in a class of drugs called selective serotonin reuptake inhibitors (SSRIs) used for treating depression, bulimia, obsessive-compulsive disorder (OCD), panic disorder, and premenstrual dysphoric disorder (PMDD), making Adipotrim XT an unapproved drug. Use of SSR...