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

Molecular modeling of acrylates (acrylamides) with D1 protein of Pisum sati vum is presented. Studies show that the binding force mainly includes H-bon d interaction, Van der Waals and x-ring stacking interaction. It was found that SER 268 in D1 protein might he an important binding site. It is import ant for high inhibitory activity of compounds whether an electronegative at om in alkyl of ester linkage could make H-bond interaction with SER 268 in D1 protein. Thus some new acrylates (acrylamides) were designed and synthes ized. Bioassay indicated that these new compounds showed expected Hill reac tion inhibitory activity.