Bio-rational design of photosystem Ⅱ inhibitors (Ⅷ)——Molecular design, synthesis and inhibitory activity of acrylates (acrylamides)  

作　　者：刘华银 沙印林 谭惠芬 杨华铮 来鲁华 

出　　处：《Science China Chemistry》1999年第3期326-331,共6页中国科学（化学英文版）

基　　金：Project supported by the National Natural Science Foundation of China (Grant No. 29702006);the special fund of Nature Science of Tianjin

摘　　要：Molecular modeling of acrylates (acrylamides) with D1 protein of Pisum sativum is presented. Studies show that the binding force mainly includes H-bond interaction, Van der Waals and π-ring stacking interaction. It was found that SER 268 in Dl protein might be an important binding site. It is important for high inhibitory activity of compounds whether an electronegative atom in alkyl of ester linkage could make H-bond interaction with SER 268 in Dl protein. Thus some new acrylates (acrylamides) were designed and synthesized, Bioassay indicated that these new compounds showed expected Hill reaction inhibitory activity.Molecular modeling of acrylates (acrylamides) with D1 protein of Pisum sativum is presented. Studies show that the binding force mainly includes H-bond interaction, Van der Waals and π-ring stacking interaction. It was found that SER 268 in D1 protein might be an important binding site. It is important for high inhibitory activity of compounds whether an electronegative atom in alkyl of ester linkage could make H-bond interaction with SER 268 in D1 protein. Thus some new acrylates (acrylamides) were designed and synthesized, Bioassay indicated that these new compounds showed expected Hill reaction inhibitory activity.

关 键 词：PHOTOSYSTEM Ⅱ ACRYLATES (acrylamides) MOLECULAR modeling MOLECULAR design HILL reaction INHIBITORY activity. 

分 类 号：O641[理学—物理化学]