Some 2-(4-bromophenoxymethyl)-6-iodo-3-substituted quinazolin-4(3H)ones: Synthesis, cytotoxic activity, EGFR inhibition and molecular docking

Safinaz E-S. Abbas,Nagwa M. Abdel-Gawad,Riham F. George, Mohamed G. Abu Elyazid,Marwa A. Zaater,Mohamed K. El-Ashrey

Journal of Molecular Structure（2022）

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Abstract

•Some 2,3,6-trisubstituted quinazoline-4(3H)ones were prepared.•They were tested for their cytotoxicity against 3 cancer cell lines.•Many compounds revealed superior activity relative to Erlotinib.•Compounds 8, 9, 11a and 11b showed promising EGFR inhibition.•Molecular docking in EGFR binding pocket confirmed the obtained activity.

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Key words

Quinazoline,EGFR,HCT116,MCF-7,A-549,Molecular docking,Molecular dynamics simulation

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