Synthesis,biological evaluation,and molecular docking studies of novel 2-styryl-5-nitroimidazole derivatives containing 1,4-benzodioxan moiety as FAK inhibitors with anticancer activity |
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| Institution: | 1. State Key Laboratory of Pharmaceutical Biotechnology, School of Life Sciences, Nanjing University, Nanjing 210093, People’s Republic of China;2. State Key Laboratory of Pharmaceutical Biotechnology, Medical School, Nanjing University, Nanjing 210093, People’s Republic of China;1. Centro de Química Medicinal da Universidade do Porto (CEQUIMED-UP), Rua de Jorge Viterbo Ferreira 228, 4050-313 Porto, Portugal;2. Laboratório de Química Orgânica e Farmacêutica, Departamento de Ciências Químicas, Faculdade de Farmácia, Universidade do Porto, Rua de Jorge Viterbo Ferreira 228, 4050-313 Porto, Portugal;3. Centro Interdisciplinar de Investigação Marinha e Ambiental (CIIMAR/CIMAR), Universidade do Porto, Rua dos Bragas 289, 4050-123 Porto, Portugal;4. Faculty of Science, Kasetsart University, 10900 Bangkok, Thailand;5. Cooperativa de Ensino Superior, Politécnico e Universitário (CESPU), Centro de Investigação em Ciências da Saúde, Instituto Superior de Ciências da Saúde-Norte (CICS-ISCS-N), Rua Central de Gandra 1317, 4585-116 Gandra PRD, Portugal;6. Universidade Federal do Rio de Janeiro, Instituto de Química, LADETEC—LAB RES, Rio de Janeiro, RJ, Brazil;1. Department of Chemistry, Faculty of Science, University of Tabuk, Tabuk 71421, Saudi Arabia;2. Department of Polymers and Pigments, NRC, Dokki, Cairo 12311, Egypt;3. Chemistry Department, Faculty of Science, Mansoura University, 35516 Mansoura, Egypt;1. State Key Laboratory of Pharmaceutical Biotechnology, School of Life Science Nanjing University, Nanjing 210093, People’s Republic of China;2. School of Medicine, Nanjing University, Nanjing 210093, People’s Republic of China |
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| Abstract: | A series of 2-styryl-5-nitroimidazole derivatives containing 1,4-benzodioxan moiety (3a–3r) has been designed, synthesized and their biological activities were also evaluated as potential antiproliferation and focal adhesion kinase (FAK) inhibitors. Among all the compounds, 3p showed the most potent activity in vitro which inhibited the growth of A549 with IC50 value of 3.11 μM and Hela with IC50 value of 2.54 μM respectively. Compound 3p also exhibited significant FAK inhibitory activity (IC50 = 0.45 μM). Docking simulation was performed for compound 3p into the FAK structure active site to determine the probable binding model. |
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| Keywords: | 2-Styryl-5-nitroimidazole derivatives Focal adhesion kinase Structure–activity relationship Molecular docking |
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