白藜芦醇类似物NF-κB活性构效关系研究  

Structure-activity relationship of NF-κB inhibition from resveratrol analogues

作　　者：刘连新[1] 刘郁[1] 何伟平[1] 

机构地区：[1]徐州工业职业技术学院化学工程技术学院,江苏徐州221140

出　　处：《食品与机械》2016年第6期147-150,共4页Food and Machinery

基　　金：徐州市科技创新专项资金(编号:KC15H0071);徐州工业职业技术学院科技基金资助项目(编号:XGY201409)

摘　　要：基于文献提供的NF-κB活性数据,利用量化取代基和取代位置的方法,通过计算机编程,根据迭代优化算法得到17种白藜芦醇类似物的描述符。结合线性回归,建立了白藜芦醇类似物NF-κB活性的定量构效关系模型。结果表明,不同取代基对白藜芦醇类似物NF-κB抗癌活性的贡献顺序为:—OH>—Naphthyl>—CF_3>—MeO>—Me_2N>—F,各取代位置对白藜芦醇类似物NF-κB抗癌活性的贡献顺序为:3位>4位>5位。Based on the NF-κB inhibition data provided by literature,the descriptors of 17 resveratrol analogues were obtained though the iterative method for optimization,according the approach of quantifying substituent and substituted positions.The Qantitative Structureactivity Relationship model was built up by using multiple linear regression analysis.The results showed that the sequence of substituents to inhibit the activation of the oncogenic transcription factor NF-κB was-OH -Naphthyl -CF_3 -MeO -Me_2N -F,and the NF-κB inhibition of 3th substituted position was greater than the one of 4th substituted position,and the inhibition of 4th substituted position was greater than the one of 5th substituted position.

关 键 词：白藜芦醇 定量构效关系 取代基 线性回归 

分 类 号：TQ460.1[化学工程—制药化工]