GSK3B and Alzheimer disease: In this study, we aimed to virtually analyze a list of 18 saponins isolated from P. grandiflorum by means of molecular docking, density functional theory, MD simulations, and MMGBSA energy calculations in the binding sites of several critical enzymes involved in AD pathology—the NMDA; BACE1; synapsin I, II, and III; and GSK-3B—consequently, paving the way to the development of multitarget molecules that can treat, ameliorate, or stop the progression of AD.