| 黄美琪,李晋明,孟贝贝,王芷琦,孟艳秋.化学通报,2023,86(11):1363-1370. |
| 靶向VEGFR受体抑制剂齐墩果酸衍生物的合成及初步抗肿瘤活性研究 |
| Synthesis of oleanolic acid derivatives and preliminary antitumor activity of VEGFR receptor inhibitors |
| 投稿时间：2023-02-13 修订日期：2023-03-27 |
| DOI： |
| 中文关键词: 齐墩果酸衍生物 结构改造 抗肿瘤 计算机辅助设计 |
| 英文关键词:oleanolic acid derivatives Structural transformation Antineoplastic Computer-aided design |
| 基金项目:国家自然科学基金项目（21372156） |
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| 中文摘要: |
| 以天然产物齐墩果酸为母体,设计合成齐墩果酸衍生物,采用计算机辅助药物设计,对C-3、C-28位结构改造,设计合成12个未见文献报道的靶向VEGFR受体抑制剂; 采用噻唑蓝(MTT)法,用人肝癌细胞(HepG2)和乳腺癌细胞(MCF-7)对其进行初步体外抗肿瘤活性筛选;其结构经1H-NMR、13C-NMR谱确证。活性测试得出化合物I7、II1与阳性对照药相比有较强抑制作用,其抗肿瘤活性高于母体OA,分子对接结果显示I7和II1 与 VEGFR 受体具有较好的结合能力,值得进一步研究。 |
| 英文摘要: |
| Using the natural product oleanolic acid as the matrix, designing and synthesizing the derivative of oleanolic acid, using computer-aided drug design, the C-3 and C-28 positions were modified to design and synthesize 12 targeted VEGFR receptor inhibitors that had not been reported in the literature; Human hepatocellular carcinoma cells (HepG2) and human breast cancer cells (MCF-7) were screened for in vitro antitumor activity by Thiazole blue (MTT) method; Its structure is confirmed by 1H-NMR, 13C-NMR spectra. The activity test showed that compounds I7and II1had strong inhibitory effects compared with the positive control drugs, and their antitumor activity was higher than that of the parent OA, and the molecular docking results showed that I7and II1had a good binding ability with the VEGFR receptor, which is worthy of further study. |
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