摘要
The phase sensitive NOESY spectrum of oridonin was treated using Full Relaxation Matrix Analysis(FRMA) approach, and the cross relaxation rates of proton pairs were obtained by diagonalizing the NOE matrix of oridonin. The inter proton distances were calculated according to 1/r6 ij ∝σij. The three-dimensional structure of oridonin in solution was calculated by the combination of WUPH, WUPH-S method with molecular mechanics minimization on the basis of NMR experiment.
The phase sensitive NOESY spectrum of oridonin was treated using Full Relaxation Matrix Analysis(FRMA) approach, and the cross relaxation rates of proton pairs were obtained by diagonalizing the NOE matrix of oridonin. The inter proton distances were calculated according to 1/r6 ij ∝σij. The three-dimensional structure of oridonin in solution was calculated by the combination of WUPH, WUPH-S method with molecular mechanics minimization on the basis of NMR experiment.
作者
YANG Yan-wu , JI Ang and HE Bing-lin (Institute of Polymer Chemistry, Nankai University, Tianjin, 300071)XU Xiao-long, QIU Jian-qing, WANG De-hua and QIAN Bao-gong(Laboratory of Magnetic Resonance and Atomic and Molecular Physics, WuhanInstitute of Physics, The Chinese Academy of Sciences, Wuhan, 430071)ZHAO Qing-zhi(Department of Organic Chemistry, Henan University of Medicinal Science, Zhengzhou, 450052)
基金
Supported by the National Natural Science Foundation of China
