Application of partial least squares algorithm to explore bioactive components of crude and stir-baked hawthorn for invigorating spleen and promoting digestion / 中国中药杂志

This study was aimed at identifying the bioactive components of the crude and stir-baked hawthorn for invigorating spleen and promoting digestion, respectively, to clarify the processing mechanism of hawthorn by applying the partial least squares(PLS) algorithm to build the spectrum-effect relationship model. Firstly, different polar fractions of crude and stir-baked hawthorn aqueous extracts and combinations of different fractions were prepared, respectively. Then, the contents of 24 chemical components were determined by ultra-high performance liquid chromatography-mass spectrometry. The effects of different polar fractions of crude hawthorn and stir-baked hawthorn aqueous extracts and combinations of different fractions were evaluated by measuring the gastric emptying rate and small intestinal propulsion rate. Finally, the PLS algorithm was used to establish the spectrum-effect relationship model. The results showed that there were significant differences in the contents of 24 chemical components for different polar fractions of crude and stir-baked hawthorn aqueous extracts and combinations of different fractions, and the gastric emptying rate and small intestinal propulsion rate of model rats were improved by administration of different polar fractions of crude and stir-baked hawthorn aqueous extracts and combinations of different fractions. The bioactive components of crude hawthorn identified by PLS models were vitexin-4″-O-glucoside, vitexin-2″-O-rhamnoside, neochlorogenic acid, rutin, gallic acid, vanillic acid, citric acid, malic acid, quinic acid and fumaric acid, while neochlorogenic acid, cryptochlorogenic acid, rutin, gallic acid, vanillic acid, citric acid, quinic acid and fumaric acid were the bioactive components of stir-baked hawthorn. This study provided data support and scientific basis for identifying the bioactive components of crude and stir-baked hawthorn, and clarifying the processing mechanism of hawthorn.

Analysis of HPLC Characteristic Chromatogram of Standard Pieces of Polygoni Multiflori Radix / 中国实验方剂学杂志

Objective: To establish HPLC characteristic chromatogram of standard pieces of Polygoni Multiflori Radix, and compare with the HPLC characteristic chromatograms of original pieces, raw materials and control materials of Polygoni Multiflori Radix. Method: HPLC analysis was carried out on a Waters BEH-C18 column (4.6 mm×250 mm, 5 μm) with the mobile phase of methanol(A)-0.1%phosphoric acid(B) for gradient elution (0-20 min, 15%-30%A; 20-35 min, 30%-40%A; 35-55 min, 40%-75%A; 55-75 min, 75%-100%A) at a flow rate of 0.8 mL·min-1. The detection wavelength was set at 270 nm and the column temperature was maintained at 30℃. The injection volume was 10 μL. Moreover, similarity and cluster analysis of HPLC characteristic chromatograms of four samples of Polygoni Multiflori Radix were performed. Result: HPLC characteristic chromatogram of standard pieces of Polygoni Multiflori Radix composed of seven peaks was established. The similarity was 0.999 between characteristic chromatograms of standard pieces and original pieces, which was better than similarities among characteristic chromatograms of raw materials, control materials and original pieces. There was no obvious difference on number of peaks between characteristic chromatograms of standard pieces and original pieces, while an obvious difference on number of peaks between chromatograms of control materials and original pieces was found. In addition, standard pieces, original pieces and control materials could generally gather into one class, while raw materials could generally gather into another class. Conclusion: Compared with the raw materials and control materials, the established HPLC characteristic chromatogram of standard pieces can better reflect the internal quality of original pieces, which can be used for the quality control of decoction pieces of Polygoni Multiflori Radix.

System modeling on Chinese herbal medicine process based on multi-block partial least squares / 中国中药杂志

The system model of Chinese herbal medicine process is the basis for improving the precision of pharmaceutical process and ensuring the stable transmission of quality between different sections of the process. By taking the wet granulation-tableting process as the research object and using the Panax notoginsengs sapions (PNS) as a model drug, multi-block partial least squares method (MBPLS) was used in this article to build the system model of Chinese herbal medicine process, analyze the mass transmission rules in the process and improve the understanding on pharmaceutical process system of Chinese medicine. According to the process flow, the quality attributes of raw materials, granules and tablets collected in the process were divided into different data blocks, and the MBPLS method was used to establish system model. The R²Y and Q²Y of MBPLS model were 89.1% and 65.5%, respectively, indicating that the performance of the MBPLS model was good. By analyzing the parameters of MBPLS model, it was determined that the physical quality attributes of PNS raw materials and quality attributes of PNS granules were the key factors to affect the quality of PNS tablets. The particle size, bulk density and tapped density of PNS raw materials were the critical quality attributes which caused the quality variations of PNS granules and PNS tablets. MBPLS can quantify the contributions of each unit to the product quality by dividing the quality attributes into different units. It was helpful to analyze the interactions between the process units of Chinese herbal medicine and it could be applied to build system model of other Chinese herbal preparations processes.

Intervention effects of Jiaotai pills on PCPA-induced insomnia in rats / 中国中药杂志

To elucidate the intervention effects of Jiaotai pills(JTP) on p-chlorophenylalanine (PCPA)-induced insomnia in rats and its underlying mechanism, the insomnia model was established by single intraperitoneal injection with PCPA in rats. The locomotor activity of rats was observed, and the levels of nerve growth factor(NGF) in hypothalamus, hippocampus, prefrontal cortex and serum of rats were determined by using ELISA. Moreover, a proton nuclear magnetic resonance(¹H-NMR)-based metabonomic approach was developed to profile insomnia-related metabolites in rat serum and hippocampus and analyze the intervention effects of JTP on changes in underlying biomarkers related to locomotor activity, NGF and insomnia. According to the results, JTP could significantly suppress the locomotor activity of insomnia rats, and increase the NGF levels in hypothalamus, hippocampus, prefrontal cortex and serum of rats with insomnia. The disturbed metabolic state associated with PCPA-induced insomnia in rat serum and hippocampus could be intervened by JTP. Meanwhile, six and five potential biomarkers related to insomnia in rat serum and hippocampus were reversed by administration of JTP. In conclusion, the current study demonstrated that JTP had protective effects against PCPA-induced insomnia in rats, which was probably correlated with regulation of NGF level and metabolism of amino acids, lipids and choline.

Application of drug-target prediction technology in network pharmacology of traditional Chinese medicine / 中国中药杂志

In recent years, network pharmacology has been developed rapidly, and especially, the concept of ″network target″ has brought a new era in the field of traditional Chinese medicine (TCM). The integrity and systematicness emphasized in network pharmacology comply with the characteristics of holistic view and treatment in Chinese medicine. It can provide deeper insights into the underlying mechanisms of TCM theories, including the illustration on action mechanism of Chinese medicine, selection of pharmacodynamic materials and the combination principles of various Chinese herbs, etc. Therefore, this theory is more suitable for TCM academic characteristics and practical conditions. The key problem in network pharmacology is how to efficiently and quickly identify the interactions between large amounts of drugs and target proteins. As an efficient and high throughput way, drug-target prediction technology can reduce costs, quickly predict the component targets, and provide foundation for the application of TCM network pharmacology. In view of the large amount of compounds and target databases, different prediction methods and technologies have been developed, and used to predict the drug-target interactions. Many virtual screening technologies have been successfully applied to network pharmacology. Based on different prediction principles, drug-target prediction technology can be generally divided into four types： ligand-based prediction, receptor-based prediction, machine learning and combined prediction. In this paper, we are going to review the prediction methods of drug-target interactions and give acomprehensive elaboration of their application in network pharmacology of TCM, hoping to provide beneficial references for various Chinese medicine researchers.

Study on material base of Ligusticum wallichii for treating brain ischemia and its molecular mechanism based on molecular docking / 中国中药杂志

To explore the effective ingredients and mechanism of Ligusticum wallichii in treating brain ischemia. Four brain ischemia-related target proteins were selected in the joint screening for the 45 component in L. wallichii reported in literatures based on molecular docking by reference to the corresponding drugs in the market. According to the docking results, multiple components in L. wallichii, such as phthalides, were superior to the corresponding drugs in the market, suggesting that they may be the major effective components in L. wallichii for treating brain ischemia. The method can be used to study the material base and molecular mechanism of traditional Chinese medicines.

Study on action mechanism and material base of compound Danshen dripping pills in treatment of carotid atherosclerosis based on techniques of gene expression profile and molecular fingerprint / 中国中药杂志

Action mechanism and material base of compound Danshen dripping pills in treatment of carotid atherosclerosis were discussed based on gene expression profile and molecular fingerprint in this paper. First, gene expression profiles of atherosclerotic carotid artery tissues and histologically normal tissues in human body were collected, and were screened using significance analysis of microarray (SAM) to screen out differential gene expressions; then differential genes were analyzed by Gene Ontology (GO) analysis and KEGG pathway analysis; to avoid some genes with non-outstanding differential expression but biologically importance, Gene Set Enrichment Analysis (GSEA) were performed, and 7 chemical ingredients with higher negative enrichment score were obtained by Cmap method, implying that they could reversely regulate the gene expression profiles of pathological tissues; and last, based on the hypotheses that similar structures have similar activities, 336 ingredients of compound Danshen dripping pills were compared with 7 drug molecules in 2D molecular fingerprints method. The results showed that 147 differential genes including 60 up-regulated genes and 87 down regulated genes were screened out by SAM. And in GO analysis, Biological Process ( BP) is mainly concerned with biological adhesion, response to wounding and inflammatory response; Cellular Component (CC) is mainly concerned with extracellular region, extracellular space and plasma membrane; while Molecular Function (MF) is mainly concerned with antigen binding, metalloendopeptidase activity and peptide binding. KEGG pathway analysis is mainly concerned with JAK-STAT, RIG-I like receptor and PPAR signaling pathway. There were 10 compounds, such as hexadecane, with Tanimoto coefficients greater than 0.85, which implied that they may be the active ingredients (AIs) of compound Danshen dripping pills in treatment of carotid atherosclerosis (CAs). The present method can be applied to the research on material base and molecular action mechanism of TCM.

HPLC fingerprint of flavonoids in Sophora flavescens and determination of five components / 中国中药杂志

A simple and reliable method of high-performance liquid chromatography with photodiode array detection (HPLC-DAD) was developed to evaluate the quality of a traditional Chinese medicine Sophora flavescens through establishing chromatographic fingerprint and simultaneous determination of five flavonoids, including trifolirhizin, maackiain, kushenol I, kurarinone and sophoraflavanone G. The optimal conditions of separation and detection were achieved on an ULTIMATE XB-C18 column (4.6 mm x 250 mm, 5 microm) with a gradient of acetonitrile and water, detected at 295 nm. In the chromatographic fingerprint, 13 peaks were selected as the characteristic peaks to assess the similarities of different samples collected from different origins in China according to similarity evaluation for chromatographic fingerprint of traditional chinese medicine (2004AB) and principal component analysis (PCA) were used in data analysis. There were significant differences in the fingerprint chromatograms between S. flavescens and S. tonkinensis. Principal component analysis showed that kurarinone and sophoraflavanone G were the most important component. In quantitative analysis, the five components showed good regression (R > 0.999) with linear ranges, and their recoveries were in the range of 96.3% - 102.3%. This study indicated that the combination of quantitative and chromatographic fingerprint analysis can be readily utilized as a quality control method for S. flavescens and its related traditional Chinese medicinal preparations.

Simultaneous quantitative analysis of five alkaloids in Sophora flavescens by multi-components assay by single marker / 中国中药杂志

<p><b>OBJECTIVE</b>To establish a new method for quality evaluation and validate its feasibilities by simultaneous quantitative assay of five alkaloids in Sophora flavescens.</p><p><b>METHOD</b>The new quality evaluation method, quantitative analysis of multi-components by single marker (QAMS), was established and validated with S. flavescens. Five main alkaloids, oxymatrine, sophocarpine, matrine, oxysophocarpine and sophoridine, were selected as analytes to evaluate the quality of rhizome of S. flavescens, and the relative correction factor has good repeatibility. Their contents in 21 batches of samples, collected from different areas, were determined by both external standard method and QAMS. The method was evaluated by comparison of the quantitative results between external standard method and QAMS.</p><p><b>RESULT</b>No significant differences were found in the quantitative results of five alkaloids in 21 batches of S. flavescens determined by external standard method and QAMS.</p><p><b>CONCLUSION</b>It is feasible and suitable to evaluate the quality of rhizome of S. flavescens by QAMS.</p>

Urine metabonomic study of intervention effects of Morinda officinalis how. on 'kidney-yang deficiency syndrome' / 药学学报

To investigate the intervention effects of Morinda officinalis How. on 'Kidney-yang deficiency syndrome' induced by hydrocortisone in rats, the metabolic profiles of rat urine were characterized using proton nuclear magnetic resonance and principal component analysis (PCA) was applied to study the trajectory of urinary metabolic phenotype of rats with 'Kidney-yang deficiency syndrome' under administration of M. officinalis at different time points. Meanwhile, the intervention effects of M. officinalis on urinary metabolic potential biomarkers associated with 'Kidney-yang deficiency syndrome' were also discussed. The experimental results showed that in accordance to the increased time of administration, an obvious tendency was observed that clustering of the treatment group moved gradually closed to that of the control group. Eight potential biomarkers including citrate, succinate, alpha-ketoglutarate, lactate, betaine, sarcosine, alanine and taurine were definitely up- or down-regulated. In conclusion, the effectiveness of M. oficinalis on 'Kidney-yang deficiency syndrome' is proved using the established metabonomic method and the regulated metabolic pathways involve energy metabolism, transmethylation and transportation of amine. Meanwhile, the administration of M. officinalis can alleviate the kidney impairment induced by 'Kidney-yang deficiency syndrome'.

Application of zebrafish model organism in the research of Chinese materia medica / 药学学报

Zebrafish has become an important model organism in many fields of biomedical studies and been increasingly used in Chinese materia medica studies in recent years. This article summarized the achievements and prospect for zebrafish as a pharmacological and toxicological tool in the study and development of Chinese materia medica.

Preventive effects of emodin on cerebral ischemia injury and expression of the inflammatory factors in rats with cerebral ischemia / 中国中药杂志

<p><b>OBJECTIVE</b>To assess emodin antagonism to cerebral ischemia injury, and to discuss the mechanism of emodin inhibiting the inflammatory cascade reaction from the levels and expressions of cytokines.</p><p><b>METHOD</b>Rats were divided into sham-operated group, model group, Ligustrazine group and emodin groups (low, middle, high dosage). After focal cerebral ischemic model of cerebral middle artery occlusion was duplicated with nylon thread, we took the speciments after ischemia 6 hours, observed the changes of the evaluating score of neural symptoms, brain water ratio and cerebral infarction area, determined the levels of TNF-alpha, IL-beta and TGF-beta in rats brain tissue by radioimmunoassay, detected the expressions of TNF-alpha and VCAM-1 by immunohistochemistry, and measured VCAM-1-mRNA expression by in-situ hybridization.</p><p><b>RESULT</b>Compared with sham-operated group, the evaluating score of neural symptoms, brain water ratio and cerebral infarction area of rats in model group were higher (P < 0.01) , the levels of TNF-alpha and IL-1beta of rats brain tissue in model group increased, while the level of TGF-beta was lower, and the expressions of TNF-alpha and VCAM-1 increased (P < 0.01). The evaluating score of neural symptoms, brain water ratio and cerebral infarction area improved obviously in every emodin group, especially in emodin low dosage group. Levels of TNF-alpha, IL-1beta and the expressions of TNF-alpha and ICAM-1 in emodin low dosage group and Ligustrazine group were lower, while the level of TGF-beta was higher. Compared with Ligustrazine group, the changes aboved are more significant in emodin low dosage group (P < 0.01).</p><p><b>CONCLUSION</b>The increase of inflammatory cascade reaction mediated by various cytokines such as TNF, IL-1beta, ICAM-1 and the decrease of TGF protection are the important mechanism of cerebral ischemia injury. The mechanism of emodin antagonism to cerebral ischemia injury may be implemented by inhibiting inflammatory cascade reaction and increasing the brain protective factors, such as TGF.</p>