Daidzein derivatives as potential inhibitors of mutant EGFR in non-small cell lung cancer: A computational study supported by molecular docking, DFT, molecular dynamics simulations, and MM/PBSA techniques.
BACKGROUND Lung cancer (LC) continues to be the foremost cause of cancer-related deaths worldwide. However, resistance to epidermal growth factor receptor(EGFR) tyrosine kinase inhibitors in non-small cell lung cancer (NSCLC) poses serious challenges to current treatments, and there is a need to identify small molecule...