Insights from the molecular docking analysis of GRP78 with natural compound inhibitors in the management of cancers

Cancer is regarded as one of the world's most serious health issues. Glucose regulated protein (GRP78) exhibits a vital role in proliferation, invasion, and metastasis numerous cancer cells. Based on that, this study screened 390 natural compounds targeting GRP78 catalytic site. Among them, corynanthin, toyocamycin, nanaomycin were found to strongly bind with possess binding affinities -8.4, -8.9, -8.7 kcal/mol, respectively. In addition, these interacted key residues have several amino acid interaction common cocrystal ligand (ATP). physicochemical parameters ADME evaluations, good drug-like properties. These could be used possible inhibitors fight against cancers. Albeit, exhaustive experimental studies would required confirm findings described here.