Fig. 12 | Scientific Reports

Fig. 12

From: Synthesis, comprehensive in silico studies, and cytotoxicity evaluation of novel quinazolinone derivatives as potential anticancer agents

Fig. 12

2D interaction diagrams of Quinazolinone Derivative 5 with key molecular targets, compared to reference inhibitors. (a) Interaction of Quinazolinone Derivative 5 with EGFR (PDB: 1M17), demonstrating a distinct binding mode compared to (b) gefitinib, a known EGFR inhibitor. (c) Interaction of Quinazolinone Derivative 5 with Estrogen Receptor Alpha (ERα) (PDB: 3ERT), compared to (d) 4-hydroxytamoxifen, which serves as both the reference ligand and the co-crystallized ligand in the 3ERT structure. The diagrams highlight key molecular interactions, including hydrogen bonding, hydrophobic contacts, and π-π stacking, providing insights into the differential binding modes of Quinazolinone Derivative 5 across these targets.

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