Among these anti-cancer targets, 3-phosphoinositide-dependent protein kinase-1(PDPK1), MMP1, MMP2, MMP3, nitric oxide synthase (NOS2), and inosine-5′-monophosphate dehydrogenase 2 (IMPDH2) showed similar binding affinity with bruceantin as that of some marketing drugs (Supplementary Table S2). Here, NOS2 is linked to cancer.