Abstract
The binding mode analysis of Gefitinib revealed that 6-propylmorpholino group (sidechain) shows no interactions due to its weak electron density. In order to modify the electron density of Gefitinib's sidechain, novel pyrrolidino analogs of Gefitinib where morpholino groups were replaced by substituted pyrrolidino groups were synthesized. Gefitinib derivatives with high electronegativity atoms or groups in the pyrrolidino moiety always exhibit high potent activity against EGFR and human cancer cell lines, A431, MDA-MB-231 and A549. Among these derivatives, 16 displayed the best pharmacokinetic properties that make it to be a promising candidate for developing drugs to replace Gefitinib.
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