The Anti-Tumor Constituents Identification Based On OPLS And Compatibility Research Of Turmeric Total Extracts

We investigated the chemical composition and the anti-tumor activity of48batches of turmeric total extracts by using HPLC-MS/MS (High-Performance LiquidChromatography tandem Mass Spectrometry) and an MTT (3-（4,5-Dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide) trial respectively.Then we used the composition-activity relationship to identify anti-tumor compoundsfrom turmeric. This method enhanced the efficiency of discovering bioactivecompounds from complex herbs. In addition, we studied the interaction of four activecompounds, which provided a reference for new drug discovery. The main works ofthe paper were as follows:1. The chemical analysis of turmeric total extracts：We analyzed the chemicalcomposition of the total extracts of48batches of turmeric by using HPLC-MS/MS(High-Performance Liquid Chromatography tandem Mass Spectrometry). As a result,we identified18curcuminoids. Specifically, we identified curcumin，demethoxycurcumin, bisdemethoxycurcumin by using their standards; the other15curcuminoids were identified through the information provided by thechromatographic and mass spectrometric analyses.2. The composition-activity research of turmeric total extracts： Usingisoquercitrin as internal standard, we quantified43compounds (22from HPLC-MSanalysis;21from GC-MS analysis) of turmeric. We found that their content differed alot from each other and that the content of each compound was quite different frombatch to batch. We detected the inhibition ratio on Hela cervical cancer of the totalextracts of48batches of turmeric through an MTT (3-（4,5-Dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide) trial. The resultshowed that the inhibition ratio of most batches of turmeric was over0.6. The highestinhibition ratio was0.863(sample43); the lowest one was0.424(sample19). Weused OPLS (Orthogonal Partial least squares) to identify the anti-tumor constituentsof the total extracts of48batches of turmeric. Then we utilized CCA (CanonicalCorrelation Analysis) to analyze the same data. The result got from CCA accordedwith that from OPLS analysis.19compounds were identified (10,18,22,5,14,36,8,4,12,41,11,13,6,23,16,17,7,42,34), of which14were curcuminoids and5were volatile oil. Compared with the result obtained from our research before,9compounds were the same as before and10compounds were new identified ones. Ofthe new identified10compounds (6，7，11，12，13，14，17，18，34，42), compounds18and42were reported to have good anti-tumor activity; further research needs to bedone to check the anti-tumor activity of other8compounds.3. The research on the compatibility of four active compounds：We usedResponse Surface Method to research the compatibility of four anti-tumor compounds(curcumin， demethoxycurcumin， bisdemethoxycurcumin and ar-tumerone) anddetected the anti-tumor inhibition ratio on Hela of their combinations. Quadraticmodel was chosen to fit the got data and seven optimum combinations were obtained.Finally, we explored the interaction of curcumin， demethoxycurcumin，bisdemethoxycurcumin and ar-tumerone, which provided a thinking for studying theinteraction of complex herb medicines.