Molecular Modeling and Synthesis of New Heterocyclic Compounds Containing Pyrazole as Anticancer Drugs

• 作者: Abdelbasset A. Farahat Fiby N. Takla Magda A.-A. El-Sayed Magda N. A. Nasr
• 来源期刊: 有机化学国际期刊(英文)
• 学科: 化学
• 关键词: TUBULIN CA-4 ANTICANCER PYRAZOLE MOLECULAR MODELING
• 年，卷（期）: 2017,（4）
• 页码范围: 369-388
• 页数: 20页
• 分类号: O6

摘要

Several modifications in CA-4 were reported in literature for the development of various tubulin inhibitors. In our study, twenty-two newly synthesized heterocyclic derivatives of Combretastatin A-4 (CA-4) have been tested for their cytotoxic effect on four different types of cells with malignant behavior using CA-4 as a positive control. Compounds 5b, 15 and 16 showed the foremost potent antiproliferative activities as compared to CA-4 with IC50 starting from 6.9 to 13.7 μM. Molecular docking was performed with the crystal structure of tubulin employing a potent tubulin inhibitor CA-4 as a parent molecule. Molecular study advised that 5b, 15, 16 and 17 are promising tubulin inhibitors.