不对称姜黄素类似物的合成及其清除自由基的研究

姜黄素类化合物中,非对称结构的单去甲氧基姜黄素具有一些特殊的生物活性.通过碱法合成2-单取代苯亚甲基环戊酮中间体,再用酸催化合成了10不对称的单羰基姜黄素类似物,多酚羟基的类似物可以不通过羟基保护直接合成,其中,除A1外其它9个为新化合物,并测试了所合成类似物对DPPH自由基的清除能力.结果表明类似物的酚羟基对自由基清...     

Comparative Molecular Field Analysis （CoMFA） of Curcumin-related Compounds for Anticancer Activity

Three-dimensional （3D） quantitative structure-activity relationship （QSAR） studies of 44 curcumin-related compounds have been carried out based on our previously reported result for their anticancer activity against pancreas cancer Panc-I cells and colon cancer HT-29 cells. The established 3D-QSAR models from the comparative molecular field analysis （CoMFA） in training set showed not only significant statistical quality, but also satisfying predictive ability, with high correlation coefficient values （R12= 0.911, R22= 0.985） and cross-validation coefficient values （q2= 0.580, q22= 0.722）. Based on the CoMFA contour maps, some key structural factors responsible for anticancer activity of these series of compounds were revealed. The results provide some useful theoretical references for understanding the mechanism of action, designing new curcumin-related compounds with anticancer activity and predicting their activities prior to synthesis.     

多酚姜黄素类似物的一步合成

以无水乙醇或THF为溶剂,浓盐酸为催化剂,含羟基芳香醛可以在不保护酚羟基的情况下与酮一步完成缩合反应,合成了12个多酚姜黄素类似物,产率62%～98%,其结构经1H NMR,MS,IR和元素分析确证.     

5-N-甲基苯并呋喃［3,2-b］喹啉衍生物的合成及其作为DNA嵌插剂的光谱学研究

以生物碱白叶藤碱为出发点,依据生物电子等排体原则,设计了5-N-甲基苯并呋喃[3,2-b]喹啉母体,并参考安吖啶结构特征,合成了一系列5-N-甲基苯并呋喃喹啉的11-位苯胺衍生物,通过波谱手段确认其结构。运用紫外-可见光谱法和分子对接测定了衍生物与DNA的结合常数K和对接分数。紫外光谱实验中,衍生物与小牛胸腺DNA结合后吸收峰出现减色效应和红移现象;离子强度实验排除了表面结合模式的可能性;结合EB置换实验和分子模拟的结果,可初步推断作用模式为嵌插作用。