Notably, compared to other phytochemicals, ecdysterone (MOL002212) exhibited exceptional binding affinities (-7.9 ± 0.04, -8.3 ± 0.03, -5.4 ± 0.03, -7.5 ± 0.02, -7.1 ± 0.04, and -5.1 ± 0.03 kcal/mol) for six anti-AD core targets including MAPK3 (H-Bond: LYS71, GLN122, ASP123, SER170), MAPK1 (H-Bond: GLU31, GLN103, ASP104, LYS149, SER151, ASP165), PIK3CA (H-Bond; HIE160, SER161, GLU218, LYS264, LYS290), PTPN11 (H-Bond: TYR279, TRP423, PRO424, ASP425, ARG465), IL-6 (H-Bond: GLU60, LYS67, GLU173), and ALOX5 (H-Bond: TRP147, ARG411), respectively. The gene discussed is PTPN11; the disease is Alzheimer disease.