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合成、生物评价及含姜黄素部分的白藜芦醇衍生物作为有效的微管蛋白抑制剂的分子对接研究。

Synthesis, biological evaluation and molecular docking studies of resveratrol derivatives possessing curcumin moiety as potent antitubulin agents.

机构信息

School of Medical Engineering, Hefei University of Technology, Hefei 230009, PR China.

出版信息

Bioorg Med Chem. 2012 Jan 15;20(2):1113-21. doi: 10.1016/j.bmc.2011.11.017. Epub 2011 Dec 1.

Abstract

A series of resveratrol derivatives possessing curcumin moiety were synthesized and evaluated for their antiproliferative activity against three cancer cell lines including murine melanoma B16-F10, human hepatoma HepG2 and human lung carcinoma A549. Among them, compound C5 displayed the most potent in vitro antiproliferative activity against B16-F10 with IC(50) value of 0.71 μg/mL. Compound C5 also exhibited good tubulin polymerization inhibitory activity with IC(50) value of 1.45 μg/mL. Furthermore, docking simulation was carried out to position C5 into the tubulin-colchicine binding site to determine the probable binding mode.

摘要

一系列具有姜黄素部分的白藜芦醇衍生物被合成,并评价它们对三种癌细胞系(包括鼠黑色素瘤 B16-F10、人肝癌 HepG2 和人肺癌 A549)的体外增殖活性。其中,化合物 C5 对 B16-F10 的体外增殖活性最强,IC50 值为 0.71μg/mL。化合物 C5 对微管蛋白聚合也表现出良好的抑制活性,IC50 值为 1.45μg/mL。此外,还进行了对接模拟,将 C5 定位到微管蛋白-秋水仙素结合位点,以确定可能的结合模式。

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