A catalyst-free synthesis method demonstrates promising EGFR binding for potential anticancer agents.
A simple and environmentally benign catalyst‐free protocol has been developed for the one‐pot synthesis of 1‐(benzothiazolylamino)methyl‐2‐naphthol derivatives from β‐naphthol, benzothiazole‐2‐amine, and aldehydes in ethanol under reflux, affording good to excellent yields (62%–94%). Detailed NMR analysis provided the first correct structural assignment and revealed an unusual downfield shift of the benzylic CH proton (∼7.26 ppm), attributed to magnetic anisotropy effects. Molecular docking against EGFR (PDB ID: 8SC7) showed favorable binding energies ranging from –8.11 to –10.79 kcal mol − 1 , with compounds 4c and 4k exhibiting the highest affinities. Key hydrogen bonding, hydrophobic, and π‐cation interactions with active‐site residues support their potential as EGFR‐targeted anticancer candidates.
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Devi et al. (2026) studied this question.
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