Computational Investigation of Compounds of Allium cepa as Potential Inhibitors of Transforming Growth Factor-beta Signaling in Cancer

Transforming growth factor-beta (TGF-β) plays a crucial role in cancer during development and metastasis. The TGF-β signaling pathway begins with the binding of active to receptor type II, which ultimately leads expression target genes nucleus. In this study, 56 compounds from Allium cepa were docked against transforming I II (TGFBR II) identify small molecular weight capable firmly kinase domain proteins inhibiting them process. For each protein target, five highest affinities identified reported. From results, three compounds; petunidin 3-glucoside-5-(6″-acetylglucoside) (-12.106 kcal/mol -11.899 kcal/mol), myricetin (-11.66 -13.924 fisetin (-10.61 -12.76 kcal/mol) showed robust both targets TGFBR respectively). ADMET profiling carried out on indicated promising properties. These could be exploited as antiviral agents that disrupt signaling. However, further investigations using vitro vivo techniques must validate these findings.