The chemical composition of Zanthoxylum bungeanum（Z bungeanum） essential oi1（39 batches） was analyzed by gas chromatography-mass spectrometry（GC-MS） analysis（23 ingredients）, and the antitumor activity against...The chemical composition of Zanthoxylum bungeanum（Z bungeanum） essential oi1（39 batches） was analyzed by gas chromatography-mass spectrometry（GC-MS） analysis（23 ingredients）, and the antitumor activity against HeLa cells was detected via the MTT[3-（4,5-dimethylthiazol-2-yl）-2,5-diphenyltetrazolium bromide] assay. Two composition-activity relationship（CAR） models, generalized regression neural network（GRNN） and support vector regression（SVR） were respectively used to calculate the mean impact value（MIV） so as to identify bioactive com- pounds. Among them 9 ingredients（peaks 4, 15, 7, 8, 13, 3, 16, 9 and 11） were selected due to their high absolute MIVs. All of them have been confirmed with potential antitumor activity by previous researches. The CAR model combined with MIV was expected to be a credible tool for the active compound identification from herbs.展开更多
基金the National Natural Science Foundation of China
文摘The chemical composition of Zanthoxylum bungeanum（Z bungeanum） essential oi1（39 batches） was analyzed by gas chromatography-mass spectrometry（GC-MS） analysis（23 ingredients）, and the antitumor activity against HeLa cells was detected via the MTT[3-（4,5-dimethylthiazol-2-yl）-2,5-diphenyltetrazolium bromide] assay. Two composition-activity relationship（CAR） models, generalized regression neural network（GRNN） and support vector regression（SVR） were respectively used to calculate the mean impact value（MIV） so as to identify bioactive com- pounds. Among them 9 ingredients（peaks 4, 15, 7, 8, 13, 3, 16, 9 and 11） were selected due to their high absolute MIVs. All of them have been confirmed with potential antitumor activity by previous researches. The CAR model combined with MIV was expected to be a credible tool for the active compound identification from herbs.
