These ligands were strictly evaluated through Lipinski's rule of five and ADMET profiling which strongly supported their antihyperglycemic properties, and therefore, these natural bioactive compounds would act as agonist of IR and inhibitors of SGLT1, DPP-IV, and GLUT2 and may lead to design potential drugs to combat diabetes with fewer or no side effects. This evidence concerns the gene DPP4 and diabetes mellitus.