Insights from molecular modeling, docking and simulation of imidazole nucleus containing chalcones with EGFR kinase domain for improved binding function.

EGFR Kinase domain is a crucial role player cell surface receptor protein activated by specific binding of its ligand like EGFR. Importance of this protein as a therapeutically important drug target towards treating various cancer types has been proven elsewhere in previous literature. In this present study, we have designed a novel series of five compounds and computationally evaluated their potential to act as inhibitors of EGFR kinase domain towards anti-cancer activity.