异烟酰胺与二芳基脲杂化基序的合成、抗癌评价及分子对接研究

V. Marvaniya, H. Joshi, Ujashkumar A. Shah, J. Patel
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引用次数: 0

摘要

为了寻找新的抗癌药物,我们设计并合成了新的异烟酰胺和二芳基脲基序(R1-R9)杂化系列。利用Autodock vina工具进行对接研究,进行系列化合物设计。使用Autodock vina对Raf激酶(PDB: 4DBN)计算结合能(大于-9.7 kcal/mol)。所有合成的化合物对MCF-7细胞株进行了体外抗癌活性评价。并对合成的化合物进行了抗癌活性测定。部分化合物(R1、R8、R9)对smcf -7细胞株的MTT活性较好。
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Synthesis, Anticancer Evaluation and Molecular Docking Studies of Isonicotinamide and Diaryl Urea Hybrid Motifs
In search of new anticancer agents with improved efficacy, we designed and synthesized novel hybrid series of isonicotinamide and diaryl urea motifs (R1-R9). Design of series compounds carried out using docking study by Autodock vina tool. Binding energy (more than -9.7 kcal/mol) calculated using Autodock vina against Raf kinase (PDB: 4DBN). All the synthesized compounds were evaluated for them in vitro anticancer activity against MCF-7 cell line. The anticancer activities of the synthesized compounds were also carried. Some of the compounds (R1, R8, R9) showed better activities towards MCF-7 cell line by MTT assay.
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