Quality evaluation of Aralia taibaiensis based on spectrum-activity relationship / 中国中药杂志

A spectrum-activity relationship is established with high performance liquid chromatography(HPLC) fingerprints and the in vitro antioxidant activity to improve the quality evaluation system of Aralia taibaiensis. The HPLC profiles of 12 batches of samples were collected, and the similarity evaluation, heat map analysis and principal component analysis were conducted for the chemometric study of the fingerprint data. Combined with grey correlation analysis, the contributions of the common peaks in the fingerprints to the antioxidant activity were clarified, and the important peaks reflecting the efficacy were identified. The results showed that 17 common peaks were found in 12 batches of A. taibaiensis samples, and 6 of them were identified as saponins. Similarity evaluation, heat map analysis and principal component analysis roughly classified the A. taibaiensis herbs into two categories, i.e.,(1) S1-S10, S12 and(2) S11. Twelve batches of samples showed different antioxidant activities in a dose-dependent manner. In particular, S9 had the strongest antioxidant activity, while S11 was the weakest in antioxidant capacity, which was basically consistent with the overall score results. The results of grey correlation analysis demonstrated that the 17 common peaks scavenged DPPH radicals in the following order: X_3>X_(17)>X_4>X_8>X_7>X_(13)>X_2>X_6>X_(11)>X_(10)>X_(16)>X_(12)>X_9>X_5>X_(14)>X_1>X_(15), and scavenged ABTS radicals in the order of X_4>X_3>X_7>X_8>X_2>X_(17)>X_(13)>X_6>X_(16)>X_(11)>X_5>X_(12)>X_(10)>X_9>X_(14)>X_1>X_(15). Among them, X_3, X_4, X_7(araloside C), X_8 and X_(17) were the important peaks reflecting the efficacy of A. taibaiensis, which were basically consistent with those contained in the principal component 1. In this study, the correlation between the HPLC fingerprints of 12 batches of A. taibaiensis and its antioxidant activity provides a reference for the Q-marker screening and quality control of A. taibaiensis.

Analysis of spectrum-activity relationship among antioxidant parts of Lycii Fructus using three different chemometrics methods / 中国中药杂志

The chemical components of Lycii Fructus were analyzed by liquid chromatography( LC) and mass spectrometry( MS for the establishment of spectrum-activity relationship,on the basis of which its antioxidant active ingredients were determined. In this experiment,Lycii Fructus was extracted with different solvents and then separated into 80 samples by macroporous adsorption resin and reversed-phase chromatography,respectively. The antioxidant components were enriched into 11 samples and their scavenging abilities against DPPH free radical and ferric ion reducing antioxidant power( FRAP) were significantly stronger than those before the treatment( P<0. 05). The spectrum-activity relationship regarding the antioxidant activity in vitro of Lycii Fructus was established by Pearson correlation analysis,orthogonal partial least squares( OPLS) and elastic net regression. Six chromatographic peaks greatly contributing to the antioxidant activity in vitro of Lycii Fructus were identified as rutin( P6),quercetin( P35),scopoletin( P14),N-cis-feruloyl-4-O-β-D-glucopyranosyl-tyramine or N-( 4-O-β-D-glucopyranosyl-trans-feruloyl)-tyramine( P8), ferulic acid( P13) and1,3,5-dihydroxy-2-isoprenyl-3-xanthone( P23). The active components associated with free radical scavenging were rutin and quercetin both belonging to flavonoids. The reduction of Fe3+was based on phenylpropanoids such as ferulic acid,scopoletin,xanthone and phenolic amides. These results indicated that the antioxidant activity of Lycii Fructus was ascribed to the synergistic action of different products through different ways. Besides,the data analysis model should be chosen carefully for the establishment of spectrum-activity relationship,thus ensuring the reliability of results.

Systematic research of secondary development of Shufeng Jiedu Capsule / 中草药

The study of secondary development of major Chinese materia medica varieties is the important content of Chinese materia medica (CMM) innovation research, and it is also the important approach of inheriting and developing traditional Chinese medine (TCM) theory and breaking the bottleneck restricting of the development of TCM theory and CMM industry. In this paper, the secondary development of Shufeng Jiedu Capsule (SJC) was systematically studied. The chemical components of SJC were elucidated by the identification and characterization of herbs, SJC and components ingested into the blood. The main effective components were further screened and cleared by integrating UPLC-Q/TOF-MS, NF-κB double luciferase reporter gene system, binding experiments of G protein coupled receptors, network pharmacology analysis, and spectrum-efficiency screening method. Based on the traditional efficacy, the mechanism of SJC was explained in terms of anti-inflammatory immunity, antipyretic effect, pharmacokinetics and tissue distribution of the main components based on the methods of animal model and genomics. The formula features, compatibility regularity were clarified and the action properties, comparative advantages and core clinical value were found and refined by the research of decomposed recipes and the comparison with the similar CMM recipes and chemical drugs. The quality control systems of SJC and related herbs were established by content determination of multi-target ingredients and multi-batch samples, and the establishment of the characteristic mode of HPLC fingerprint. The original quality standards were promoted comprehensively to ensure the uniformity, stability and controllability of product quality. This study not only provided important theoretical and experimental basis for clinical application and guidance of clinical practice, but also provided research ideas and modes for the secondary development of other major CMM varieties.

Spectrum-activity relationship of extract from Ilex latifolia on inhibition of xanthine oxidase / 中草药

Objective To investigate the spectrum-activity relationship between HPLC fingerprint of Ilex latifolia from 10 batches in different regions and its inhibition of xanthine oxidase (XOD) efficacy and to reveal the material basis of I. latifolia. Methods The samples from 10 batch different regions were determined with the HPLC method. The similarity of the representative standard fingerprint was evaluated using the Similarity Evaluation System for Chromatographic Fingerprint of Traditional Chinese Medicine (Version 2004A). The common pattern was established for the principal component analysis (PCA). The HPLC method was used to establish the enzyme-substrate reaction system, and the inhibitory activity of XOD of 10 batches of I. latifolia produced in different areas was studied. The SPSS analysis correlation was used to conduct correlation analysis based on spectrum-activity relationship. The model of mouse hyperuricemia were induced by potassium oxonate, and the levels of UC and XOD in plasma and liver were detected. Results Fifteen common peaks in HPLC-fingerprint of I. latifolia were obtained. It was tentatively concluded that peak 11 (ilekudinoside E) and peak 14 (kudinoside F) had the moderate correlation with the inhibitory effect of XOD in the fifteen characteristic peaks. Peaks 5, 6 (kaempferol-3-O-β-D-rutinoside), 7 (isorhamnetin-3-O-β-D-rutinoside), 10 (latifoloside C), and 13(latifoloside D) had the strongest correlation. The quality of I. latifolia was influenced by the concentration of latifoloside H (peak 9) obtained by PCA. In the vivo experiment of hyperuricemia model mice, the levels of plasma UC and XOD of the mice in different doses of I. latifolia extracts groups were reduced, and the activities of XOD in livers tissue were also reduced. Conclusion Ten batches of samples from different habitats had potent inhibitory effects on XOD. There may be a certain relationship between seven compounds showed in HPLC fingerprint and its inhibitory effect on XOD.

Spectrum-activity relationship of trichosanthis fructus and trichosanthis fructus strip pieces for rat myocardial ischemia-reperfusion injury / 中国中药杂志

To investigate the spectrum-activity relationship of Trichosanthis Fructus and Trichosanthis Fructus strip pieces for rat myocardial ischemia-reperfusion injury. HPLC fingerprints of Trichosanthis Fructus and Trichosanthis Fructus strip pieces were established, and the values of creatinekinase-MB (CK-MB), myoglobin (MYO) and cardiac troponin-T (cTNT) in 3 dose groups (2.25, 13.5, 27.0 g·kg⁻¹, equivalent to the crude herb g·kg⁻¹) of Trichosanthis Fructus and Trichosanthis Fructus strip pieces with myocardial ischemia-reperfusion injury in rats were measured, and the grey relational analysis was used to study the spectrum-activity relationship of Trichosanthis Fructus and Trichosanthis Fructus strip pieces for rat myocardial ischemia-reperfusion injury. With the dosage increase from 2.25 g·kg⁻¹ to 27.0 g·kg⁻¹, the correlation degree of spectrum-activity relationship of Trichosanthis Fructus and Trichosanthis Fructus strip pieces was also enhanced, but the change trend was different between these two groups. According to the frequency of the top 10 peaks in the correlation degree, peak 17, 14, 16, 19, 32, 12, 26, 30, 4, 6 and 2 were the basic effective substances group of Trichosanthis Fructus, peak 6,14,12,32,30,4 and 6 were the basic effective substances group of Trichosanthis Fructus strip pieces. Peak 6, 14, 12, 32, 30, 4 and 26 in fingerprints of Trichosanthis Fructus and Trichosanthis Fructus strip pieces were the main common pharmacodynamic substance base, among them, peak 6 was 5-hydroxymethyl furfural, peak 14 was vanillic acid and the peak 28 was rutin, but the correlation degree with the efficacy was different. The effect of Trichosanthis Fructus and Trichosanthis Fructus strip pieces on rat myocardial ischemia-reperfusion injury was due to the synergistic effect of the effective substance groups related to the dosage. The essential pharmacodynamic substance groups of Trichosanthis Fructus and Trichosanthis Fructus strip pieces were different, but they shared a common active ingredient group.

Fingerprints of Different Ethanol Extracts of Tripterygium Wilfordii Hook.f.and Spectrum-activity Relationship in Rat Mesangial Cells / 中国药师

Objective:To investigate the proliferation of rat glomerular mesangial cells (GMC) influenced by different ethanol extracts of Tripterygium wilfordii HooK F.(TWHF).Methods:An HPLC method was used to establish the fingerprints of 5 different ethanol extracts of TWHF,and GMC was chosen to study the effects of different ethanol extracts of TWHF on cell proliferation.After statistical analysis,the spectrum-activity relationship was analyzed by using partial least squares regression(PLSR).Results:The HPLC fingerprints of the 5 different ethanol extracts of TWHF were established,and 32 characteristic peaks were characterized by the HPLC fingerprints.60%,70% and 95% ethanol extracts and glycosides tablets showed dose-effect relationship,and with the increase of dose,the more significant inhibition of cell proliferation was exhibited.The absorbance values of the 60% ethanol extracts at medium and high doses were lower than those of the other extracts at the same dose.The proliferation inhibition rate of GMC was used as the potency index and analyzed by PLSR,and 20 peaks were potency peaks at high dose(40 μg·L-1),17 ones were potency peaks at medium dose(20 μg·L-1) and 15 ones were potency peaks at low dose(10 μg·L-1).Conclusion:Part of the potency peaks has regular dose-effect relationship with the changes of dose.

Study of Effective Substances Screening for Panax Notoginseng Based on Spectrum-effect Relationship / 中国药师

Objective:To investigate the protective effects of Panax notoginseng on myocardial ischemia injury in dogs and study the spectrum-activity relationship of Panax notoginseng. Methods:Firstly, the HPLC fingerprint analytical method for Panax notogin-seng was established, and then the dog model of acute myocardial ischemia was established by left anterior descending coronary liga-tion. Bivariate correlation analysis and multivariate regression analysis were used to correlate the spectrum-activity relationship between the fingerprints and the anti-myocardial ischaemia activity, and the spectrum-activity relationship and efficacy material foundation of Panax notoginseng were determined. Results:The main effective components were Ginseng saponin Rg1 and Rb1 and notoginseng sapo-nins R1 etc. Notoginseng saponins R1 could significantly inhibit the increase of serum lactate, and ginseng saponin Rg1 could inhibit the increase of FFA in serum, which was the main component in Panax notoginseng for the treatment of myocardial ischemia. Conclusion:The effective substances in Panax notoginseng are obtained by investigating the relationship between the spectrum and efficiency, and a new method for the evaluation of spectrum-activity relationship for Panax notoginseng is established. It can objectively reflect the inher-ent quality of the drug and provide a new strategy for the further research of traditional Chinese medicines.

Spectrum-activity relationship on anti-hepatic fibrosis efficacy of Trionycis Carapax / 中草药

Objective: To investigate the spectrum-activity relationship between HPLC of Trionycis Carapax from different regions and its anti-hepatic fibrosis efficacy, in order to reveal the "active component group" for anti-hepatic fibrosis efficacy of Trionycis Carapax. Methods: The samples from 12 regions were determined with the HPLC-DAD method. The representative standard fingerprint was calculated using the Similarity Evaluation System for Chromatographic Fingerprint of Traditional Chinese Medicine (Version 2004A). The common patten and the principal component analysis (PCA) were established. Using the LX-2 hepatic stellate cell as a hepatic fibrosis model of Trionycis Carapax to study its inhibition on the hepatic fibrosis cells. The spectrum-effect relationship was studied by SPSS 19.0 software. Results: Seven common peaks in the HPLC-fingerprint of Trionycis Carapax were obtained. It was tentatively concluded that peaks 2 and 5 related better to the inhibitory effect of LX-2 cells (OD value) in the seven characteristic peaks. Peak 4 had the strongest correlation. And the quality of Trionycis Carapax was influenced by the concentration of peak 4 obtained by PCA. Conclusion: All the samples could inhibit the proliferation of LX-2 hepatic stellate cell in some extent. There may be a certain relationship between HPLC fingerprint and anti-hepatic fibrosis efficacy. In addition, the research could be used as the quality control method of Trionycis Carapax.

Screening of constituents with antiproliferative activity in Panax notoginseng and their underlying mechanisms / 中草药

Objective: To screen the components with potent antiproliferative effects on human hypertrophic scar fibroblasts (HSF) in Panax notoginseng and to explore their mechanisms. Methods: The Soxhlet extraction method was used to obtain the different extracts from P. notoginseng by solvents with different polarities. MTS method was used to screen the ingredients with antiproliferative activity on HSF and flow cytometry was used to detect their influence on cell cycle. Then, spectrum-activity relationship of the active ingredients was analyzed by HPLC. UPLC-Q/TOF-MS was used to identify the ingredients with obvious activity. The antiproliferative mechanism was predicted by reverse docking. Results: The ethyl acetate extract of P. notoginseng showed higher antiproliferative activity (P < 0.01), significantly increased the proportion of cells in G0/G1 phase (P < 0.01), and reduced the proliferation index (PI) (P < 0.01). The main active components were saponins. The result of confirming experiment showed that ginsenosides Rh1 and Rg1 could inhibit the cell proliferation in a dose-dependent manner. Results of reverse docking indicated the antiproliferative effects might be related to the regulation of some target proteins such as MAP2K, MAPK14, and HRAS, as well as the related pathways. Conclusion: The ethyl acetate extract of P. notoginseng shows the antiproliferative activity on HSF, and the antiproliferative ingredients are saponins. The underlying mechanisms might be related with the regulation of MAPK and focal adhesion signaling pathways.

Dose-response and HPLC spectrum-activity relationships of the anti-inflammatory active site of Kalimeris indica / 中国药学杂志

OBJECTIVE: To explore the dose-effect and fingerprint-effect relationships of the active site of Kalimeris indica. METHODS: The HPLC fingerprints of the active site at different doses were determined. Mouse auricle swelling model was used to observe the anti-inflammatory action of Kalimeris indica extract and its dose-response relationship. Grey correlation method was used to assess the relationship between the fingerprint peaks and effects. RESULTS: The was a positive correlation between the dose and anti-inflammatory activity of the extract (r=0.9511). The extract had 18 common peaks, among which four were identified, and the comprehensive correlation between the common peaks and anti-inflammatory activity was from 0.5608 to 0.9599, with ranking of 10> 14> 5> 8> 15> 9> 2> 7> 12> 1> 17> 3> 18> 16> 6> 13> 4> 11. CONCLUSION: The spectrum-activity relationship of Kalimeris indica established in this study could provide theoretical basis and data support for the quality control pattern of traditional Chinese medicines.

Spectrum-activity relationship of Angelicae Sinensis Radix-Chuanxiong Rhizoma supercritical fluid extraction with Carthami Flos against myocardial ischemia / 中草药

Objective: To study the spectrum-activity relationships between the anti-myocardial ischaemia activity and the HPLC fingerprints of the formula, consisting of Angelicae Sinensis Radix-Chuanxiong Rhizoma supercritical fluid extraction (AC-SFE) and Carthami Flos (CF) solvent-extracted extracts. Methods: The rat model of acute myocardial ischemia was established by applying left anterior descending coronary ligation, and bivariate correlation analysis (BCA) and multivariate regression analysis (MRA) were used to investigate the spectrum-activity relationship between fingerprints and anti-myocardial ischaemia activity. LC-MS was used for peak assignment. Results: Eight peaks of AC-SFE were negatively correlated with the infarct size ratio (ISR) and the serum lactate dehydrogenase (LDH), and four of them were significantly correlated. Peak 8 (quercetin-3-O-β-D-galactose glycosides-4'-O-β-D-pyranglucoside) from CF was positively correlated with the efficacy. Study by regression analysis showed four peaks were in regression equations. LC-MS showed 16 peaks, among which 12 were correlated peaks. Conclusion: Ferulic acid (peak 13), senkyunolide H (peak 15), 3-hydroxy butylphthalide (peak 16), senkyunolide A (peak 18), 3-butylphthalide (peak 19), ligustilide (peak 20), dibutyl phthalide (peak 21), and phthalide (peak 17) of AC-SFE and peak 1 (4-methoxy-6-[3, 4, 5-trihydroxy-6-[[3, 4, 5-trihydroxy-6 (hydroxymethyl) tetra-hydropyran-2-yl]oxymethyl] tetrahydropyran-2-yl]oxy-cyclohexane-1, 2, 3, 5-tetrol) and peak 2 (3-{[6-O-(D-Galactopyranosyl)-β-D- galacto-pyrano-syl]oxy}-1,2-propanediyl diacetate) of CF might be the material foundation for the anti-myocardial ischaemia activity. Peak 8 might not be able to relieve myocardial ischaemia.

Spectrum-activity relationship of hemagglutination components in Isatidis Radix / 中草药

Objective To study the active components in Isatidis Radix with agglutination effect on red blood cells. Methods The different extracts from Isatidis Radix were obtained by the means of systematic solvent extraction and their antivirus activity was studied by hemagglutination test. The HPLC fingerprints of the most active extracts from Isatidis Radix were established and also the extracts were bioassayed. The spectrum-activity relationship of the extracts was studied by mathematical statistics method. Results The n-butanol extracts had the best agglutination effect on red blood cells of the rabbit. The study on the spectrum-activity relationship of the extracts found that the greater the proportional area of common peaks 2 and 11 (retention time were 7.23 and 43.00 min) of the extracts had, the stronger the agglutination effect of the extracts had. Conclusion Common peaks 2 and 11 could be characteristic peak for anti-virus activity of Isatidis Radix. The spectrum-activity relationship of Isatidis Radix established could provide the theoretical basis and the data support for the pattern of quality control of Chinese materia medica.

Approach to matter-element analysis method for quality evaluation of Chinese materia medica based on spectrum-activity relationship / 中草药

To propose a new pattern for quality control and evaluation of Chinese materia medica(CMM).The limitation of quality control pattern for CMM was investigated and a new method for quality evaluation has been explored and designed,combining with the introduction on the conception of matter-element evaluation model and its application to product quality evaluation in value engineering,as well as the research survey on the spectrum-activity relationship of CMM.The new method for quality evaluation referred to the results of research concerning the spectrum-activity relationship of CMM.Taking the quality grade,quality index,and chemical composition of CMM as matter-elements,the evaluated grades and tested data were normalized to establish the matter-element model.With the establishment of the improved quality control method,which is in accordance with the basic characteristics of CMM,it is expected that the safety,efficiency,and quality stability of CMM could be ensured and a new scientific research strategy and technological support could be provided to promote the modernization of CMM.