Synthesis and in-silico studies of 4-(5-(2-(4-(5-aryl-1,2,4-thiadiazol-3-yl)phenyl)-1H-imidazol-4-yl)-1,3,4-thiadiazol-2-yl)pyridines

Abstract

4-(5-(2-(4-(5-aryl-1,2,4-thiadiazol-3-yl)phenyl)-1H-imidazol-4-yl)-1,3,4-thiadiazol-2-yl) pyridines were synthesized from benzothioic O-acid and (E)-N'-hydroxy-4-(4-(5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl)-1H-imidazol-2-yl) benzamidine. New compounds synthesized were characterized by IR, 1H NMR, 13C NMR, and mass spectral analysis. The synthesized compounds were also performed for in-silico studies, particularly in relation to their activity as inhibitors of the Epidermal Growth Factor Receptor (EGFR). This approach provides a comprehensive understanding of the molecular behavior of compound and their potential as agents for inhibiting EGFR, which is of significant interest in drug discovery and development.

Keywords

• Thiadiazole
• Imidazole
• EGFR inhibitors
• Molecular docking
• Anticancer agents