Design, Synthesis, and <i>In</i>-<i>Vitro</i> Biological Evaluation of PARP-1 Inhibitors Based on a 4-(Benzylideneamino)-N-(Quinolin-8-yl)Benzamide Scaffold
نویسندگان
چکیده
Novel poly(ADP-ribose)polymerase (PARP)-1 inhibitors containing, the 4-(benzylideneamino)-N-(quinolin-8-yl)benzamide moiety, were designed and synthesized. The docking study revealed that compounds possess significant to moderate interaction with targeted enzyme PARP1. Among them compound 3d (−52.04 K/cal) 3e (−50.234 showed similar Glidescore compared Olaprib (−57.76 K/cal). Some of synthesized displayed good PARP-1 inhibitory activity, among them, most potent one. Enzyme assay indicated 3d, 3e, 3i 3o exhibited an activity against olaparib. All screened for their in vitro anticancer MCF-7 MDA-MB-232 cell lines. (60.63 μg/mL 56.38 μg/mL) (3 68.03 54.42 ones. In addition, ADMET prediction results these might be less toxic display more interesting pharmacokinetic properties.
منابع مشابه
Design, Synthesis, and Biological Evaluation of Novel PARP-1 Inhibitors Based on a 1H-Thieno[3,4-d] Imidazole-4-Carboxamide Scaffold.
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ژورنال
عنوان ژورنال: Polycyclic Aromatic Compounds
سال: 2022
ISSN: ['1563-5333', '1026-7743', '1040-6638']
DOI: https://doi.org/10.1080/10406638.2022.2033802