齐墩果酸
化学
细胞毒性
对接(动物)
表皮生长因子受体
立体化学
MTT法
药理学
肿瘤细胞
生物化学
体外
受体
癌症研究
医学
替代医学
护理部
病理
作者
Meng Yang,Jinming Li,Zhiqi Wang,Da Xu,Mei-Qi Huang,Bei-Bei Meng
标识
DOI:10.1080/10286020.2023.2206572
摘要
Based on the simulated docking of Epidermal growth factor receptor inhibitors with known active small molecule compounds, computer-aided drug design technology was used to analyze key amino acid fragments and determine the active groups binding with key sites. Then, twelve novel analogues of oleanolic acid (OA) were synthesized by introducing active groups at the C-3 and C-28 positions of OA. The structures of these novel analogues were confirmed by NMR and MS. Furthermore, the antitumor activities of these novel analogues were evaluated by MTT assay. As a result, compounds I3 and II3 showed stronger cytotoxicity on tumor cells than positive controls. In conclusion, our study synthesized twelve novel analogues of OA and determined compounds I3 and II3 had better antitumor effect, which may be potential candidate compounds for tumor therapy.
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