Study On The Substance Basis Of Chinese Herbal Medicine Based On Biomolecule Network

HPLC-MS was used to analyze Equisetum hiemale L, the serum metabolome in blankgroup and Equisetum hiemale L, caffeic acid, ferulic acid, quercetin administration grouprats seperately. Changes in endogenous metabolites and that at different time points ofblank group and drug group rats were investigated, chemical composition of medicine andserum endogenous components were got, varition of changes in endogenous metaboliteswere analyzed. Different endogenous metabolites were confirmed by MS/MS databaseonline, the mechanism of medincine in vivo was approved by biomolecular network andrelated literatures. The present study is as follows:1. HPLC-MS was used to analyze the chemical composition of Equisetum hiemale L.75%ethanol was used to extract Equisetum hiemale L, then refluxed2hours, filtered andconcentrated under reduced pressure, distilled water to volume, injected40μL. Thesamples were separated by Agilent EC-C18（4.6mm×100mm，2.7μm）column, gradientelution with acetonitrile (A)-0.1%formic acid (B) solution,(initial5%A，95%B;10min，10%A，90%B;15min，15%A，85%B；19min，21%A，79%B；60min，100%A，0%B;); flow rate:0.6mL/min; column temperate:25℃; injection volume:40μL.Electrospray ion trap mass spectrometer was used as the detector. The total ionchromatogram and MS/MS spectrogram of Equisetum hiemale L. were detected, caffeicacid, ferulic acid, quercetin and4-hydroxybenzoic acid were identified by standard.2. Wistar rats were fed a one-time Equisetum hiemale L. extract, changes in endogenousmetabolites of blank group and drug group rats were studied, unsupervised principalcomponent analysis (PCA) method is not able to distinguish the blank group and druggroup, supervised partial least squares discriminant analysis (PLS-DA) method was usedfor further analysis, significant differences were found in the metabolism between thecontrol group and drug group by scores plot. Serum metabolomics can be used to analyzeendogenous metabolites which based on HPLC-MS. Combine VIP value with t test, severallarger packet contribution of potential biomarkers were filtered out,6compounds wereidentified by databases. The dynamic changes of endogenous metabolites in vivo wereanalyzed further, the biological effects mechanism of Equisetum hiemale L. was approvedby biomolecular network and related literatures. 3. Wistar rats were fed a one-time Caffeic acid, ferulic acid, quercetin extract respectively,HPLC-MS was used to analyze the serum metabolome in blank group and administrationgroup rats, MS data were processed by MATLAB software. With multivariate statisticalanalysis of serum metabolite profiles, a clear separation among blank group andadministration group was achieved, biomarkers were iditified by relative databasescombining with VIP value and t test, the biological effects mechanism of Caffeic acid,ferulic acid, quercetin were approved by biomolecular network and related literatures, atthe same time copare with biological effects mechanism of Equisetum hiemale L, a viablemethod was provided for the study of metabolomics for Chinese medicine components andits pharmacodynamic basis.