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  • Title: Molecular modelling and synthesis of quinazoline-based compounds as potential antiproliferative agents.
    Author: Yassen AS, Elshihawy HE, Said MM, Abouzid KA.
    Journal: Chem Pharm Bull (Tokyo); 2014; 62(5):454-66. PubMed ID: 24789927.
    Abstract:
    In this study, four series of 4-anilinoquinazoline derivatives were designed and synthesized as potential anti-proliferative agents. Mechanism of anticancer activity was explained through molecular docking of the target compounds into epidermal growth factor receptor tyrosine kinase (EGFR-TK) active site which displayed comparable binding mode of certain compounds to that of lapatinib. Moreover, the newly synthesized compounds were tested for their anti-proliferative activity on breast carcinoma cell line (MCF-7). 6-(4-Benzylpiperazin-1-ylsulfonyl)-4-(4-bromoanilino)quinazoline (14g) exhibited the most potent inhibitory activity (IC50=5.52 µM).
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