Molecular Docking Studies of Glabrene and Human Epidermal Growth Factor Receptor Kinase

Background: Human epidermal growth factor receptor 2 (Her2) gene located in human chromosome17, encodes Her2 tyrosine kinase protein, and is overexpressed breast cancer cells. activated on phosphorylation of by adenosine triphosphate (ATP). Nonetheless, excessively partakes the development prognosis specific types aggressive cancers. Therefore, inhibition therapy primary target for treatment cancer. At present, lapatinib one Food Drug Administration approved inhibitors used therapy. In molecular docking process, glabrene with slightly higher binding energy competitively bound to active site comparable ATP. could emerge as a potential candidate restricting cancer.
 Objective: The present study aimed demonstrate inhibitory activity glabrene, an isoflavene xenoestrogen found liquorice root, along known inhibitor, lapatinib.
 Methods: ATP, lapatinib, were docked protein 3D structure which revealed competitive inhibitor akin lapatinib. Results: results suggested similarities glabrene. energies complexes −9.1 kcal/mol, −10.5 −11.3 respectively.
 Conclusion: silico simulation that likewise inhibitor.