Molecular docking studies of novel s-triazine derivatives incorporating amino methoxy chalcone for EGFR inhibitor in breast cancer

Abstract

Background: The Epidermal growth factor receptor (EGFR) receptor is involved in both apoptosis and angiogenesis. An upregulation of EGFR activity can potentially expedite the proliferation of malignant cells. Anticancer activity is among the many pharmacological activities of s-triazine derivative compounds. The potential of amino chalcone derivatives as anticancer agents has been documented. The anticipated outcome is that the derivatives of these two compounds will enhance their efficacy as antiproliferative agents. Objective: Through molecular docking, this study aimed to assess the potential of eight novel trichlorotriazin compounds derived from amino chalcone as EGFR inhibitors in breast cancer. Method: The molecular docking process was carried out with the assistance of the software package identified as the molecular docking environment (MOE) 2023.0901. Results: Compounds two and four, which have a similar binding orientation to the positive control, have the potential to inhibit EGFR, according to molecular docking results. For developing new s-triazine derivatives that are potent agents against breast cancer, the molecular docking outcomes of compounds two and four may require additional consideration. Conclusion: Compounds which are two and four have surfaced as noteworthy contenders.