Molecular docking identifies chiral 1,3,5‐triazines as EGFR inhibitors, highlighting potential for breast and lung cancer treatment.
Key Points
Strong in vitro EGFR inhibition observed with specific chiral 1,3,5‐triazines, indicating their potential as anticancer agents.
The compound (R)-4-((4-(3-methoxyphenoxy)-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-yl)amino)benzonitrile showed noteworthy cytotoxicity against MCF‐7 and A549 cell lines.
Molecular dynamics simulations support findings from molecular docking, confirming the effectiveness of selected compounds for EGFR inhibition.
The pharmacophore approach enabled identification of top candidates within the synthesized library, emphasizing their promise in targeted cancer therapy.