Analytical Methods
·
2017
·Vol. 9
·期 38
·5580-5585
·
IF 1.9
Xialin Chen,Jin Qi,Boyang Yu
Compound Danshen Dripping Pills (CDDPs) are a Chinese herbal medicinal preparation composed of Salviae miltiorrhizae Radix and two other Chinese medicines, Notoginseng Radix and Borneolum. The main components of CDDPs are protocatechuic aldehyde, danshensu, salvianolic acid A, rosmarinic acid, ginsenoside Rg1, ginsenoside Rb1, L-(−)-borneol and isoborneol. The complex composition of CDDPs, which contains phenolic acids, ginseng saponins and borneols, makes quantitative analysis by traditional methods difficult. Therefore, a fast and accurate 1H qNMR method was established that can simultaneously determine the eight main components of CDDPs. The qNMR method was well validated and successfully applied in the determination of ten sample batches. The vector cosine angle method was used for further analysis of the results to evaluate the sample quality. The results indicate that the qNMR method is suitable for the quality control of CDDPs and has potential as an easy alternative for the analysis of other complex Traditional Chinese Medicines (TCMs) that require two or more traditional instruments for comprehensive quantitative analysis.
研究领域:
药学
·
分析化学
·
中药学
✓ 已验证
产品关联
DOI
高影响因子
ALTERNATIVE THERAPIES IN HEALTH AND MEDICINE
·
2024
·
IF 1.9
Chunshan Wei,Zhulin Wu,Xiaoya Yang,Xiaoyan Jiang,Lianan Wang,Jinsong He,Guangdong Tong
Background: In China, traditional Chinese medicine (TCM) is an important part of the comprehensive treatment of hepatocellular carcinoma (HCC), and Chinese herb formulas with the effect of "yiqi jianpi jiedu huayu" (replenishing qi, strengthening spleen, and removing toxicity and blood stasis) are the common and efficient treatments for HCC. However, the mechanism of these formulas in treating HCC remain unclear. Objective: In this paper, our goal is to explore the potential mechanism of Phyllanthus urinaria L anti-neoplastic decoction (PAD), the representative formula of "yiqi jianpi jiedu huayu", in treating HCC. Design: The research team performed the network pharmacology and in vitro experiment (preparation of PAD aqueous extract, cell cultures and MTT assay, cell apoptosis assay, wound healing assay, transwell assays, western blot). Setting: The study took place in the Department of Hepatology, the Fourth Clinical Medical College of Guangzhou University of Chinese Medicine (Shenzhen Traditional Chinese Medicine Hospital), China. Outcome measures: The active components and targets of PAD and HCC targets were screened by five Chinese herbs and two disease databases respectively. The network pharmacology was utilized to construct the relationship network between PAD and HCC, and the mechanism was predicted by pathway enrichment analysis. The experiment was performed to verify the intervention effect of PAD on HCC and phosphoinositide 3-kinase/protein kinase B (PI3K/Akt) pathway. Results: The relationship network between PAD and HCC suggested that PAD mainly regulated the potential therapeutic targets of HCC by key active components such as quercetin, luteolin, calycosin, wogonin, and pinocembrin. Pathway analysis demonstrated PAD could play an anti-HCC effect via multiple pathways (e.g., PI3K/Akt). Results of the experiment showed that PAD could effectively inhibit the proliferation and migration of HCC cells, and promote HCC cells apoptosis in a concentration-dependent behavior. Additionally, PAD could decrease the protein expression of phosphorylated PI3K/Akt. Conclusion: PAD mainly exerts an anti-HCC effect through multiple active components represented by quercetin and multiple pathways represented by the PI3K/Akt pathway. This study provided an experimental basis for the clinical application of PAD.
研究领域:
肿瘤学
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中医药学
·
分子生物学
✓ 已验证
DOI
PubMed
高影响因子
JOURNAL OF ETHNOPHARMACOLOGY
·
2024
·
IF 4.8
Ruyi Feng,Yanlu Li,Junxia Ma,Yanchao Xing,Yingshan Jiang,Zhongmei He,Ying Zong,Rui Du
Ethnopharmacological relevance Spermatogenic Pill (SP) is a commonly used clinical preparation in the Third Clinical Hospital of Changchun University of Traditional Chinese Medicine. Has accumulated a good reputation for more than a decade. However, because SP is a hospital clinical agent, it has received little extensive attention from researchers, which has led to a systematic lack of basic research on it. Therefore, it is impossible to determine whether there are safety hazards that may limit its widespread clinical application, and an in-depth toxicological evaluation of SP is essential and urgent. Aim of the study The aim of this study was to assess the safety of SP by conducting acute and subacute toxicity examinations. Materials and methods Identify active compounds contained in SP by LC-MS, and determination of inorganic elements in SP using ICP-MS. The in vivo acute toxicity of SP was assessed over a duration of 14 days following administration at doses of 7.5, 15, or 30 g/kg. To evaluate subacute toxicity, mice were administered daily doses of SP (7.5, 15, or 30 g/kg) for a period of 28 days. After the treatment period, the animals were euthanized, and standard blood tests, liver and kidney function tests, as well as tests related to glycolipid metabolism, were performed. The principal organs of the mice were collected to calculate organ coefficients and undergo hematoxylin-eosin (HE) staining. Results LC-MS analysis showed that the active components of SP include Quercetin, Kaempferol, Beta-sitosterol, Stigmasterol, Diosbulbin B, Schizandrin, Naringenin, 2,3-hydroxycinnamic acid, L-proline, Histidine and Pluviatolide. The total amount of detected inorganic elements accounted for 3.0919% of SP. During the SP acute toxicity experiment, the groups that received the drug exhibited no signs of adverse reactions or poisoning symptoms. In subacute toxicity experiments, drug-treated mice showed overall favorable status, but the effects of continuous administration of the 30 g/kg group on body weight and food intake were reduced. An increase in the white marrow of spleen tissue after long-term administration of the drug treatment was also observed, suggesting that the drug can increase the maturation process and the number of mature lymphocytes in the spleen, and improve the lymphocyte immunity and humoral immunity function of the organism. Suggests that possibly this should be taken into account in clinical application. The routine blood examinations, as well as the assessments of liver and kidney functions, and the tests for glucose and lipid metabolism, did not reveal any notable toxic effects. Conclusion SP contains more flavonoids, and terpenoid active ingredients, and is non-toxic in the body. This discovery not only strengthens the safety foundation of its clinical application, provides a solid scientific basis for the establishment of reasonable clinical dosage and the implementation of effective clinical toxicity monitoring, but also further lays a solid theoretical cornerstone for the subsequent clinical drug trials.
研究领域:
药理学
·
毒理学
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中医药学
✓ 已验证
DOI
PubMed
高影响因子
Cancer Biology & Medicine
·
2024
·Vol. 21
·期 11
·1067
·
IF 5.6
Boyu Pan,Han Zhu,Jiaqi Yang,Liangjiao Wang,Zizhen Chen,Jian Ma,Bo Zhang,Zhanyu Pan,Guoguang Ying,Shao Li,Liren Liu
Objective: The presence of complex components in Chinese herbal medicine (CHM) hinders identification of the primary active substances and understanding of pharmacological principles. This study was aimed at developing a big-data-based, knowledge-driven in silico algorithm for predicting central components in complex CHM formulas. Methods: Network pharmacology (TCMSP) and clinical (GEO) databases were searched to retrieve gene targets corresponding to the formula ingredients, herbal components, and specific disease being treated. Intersections were determined to obtain disease-specific core targets, which underwent further GO and KEGG enrichment analyses to generate non-redundant biological processes and molecular targets for the formula and each component. The ratios of the numbers of biological and molecular events associated with a component were calculated with a formula, and entropy weighting was performed to obtain a fitting score to facilitate ranking and improve identification of the key components. The established method was tested on the traditional CHM formula Danggui Sini Decoction (DSD) for gastric cancer. Finally, the effects of the predicted critical component were experimentally validated in gastric cancer cells. Results: An algorithm called Chinese Herb Medicine-Formula vs . Ingredients Efficacy Fitting & Prediction (CHM-FIEFP) was developed. Ferulic acid was identified as having the highest fitting score among all tested DSD components. The pharmacological effects of ferulic acid alone were similar to those of DSD. Conclusions: CHM-FIEFP is a promising in silico method for identifying pharmacological components of CHM formulas with activity against specific diseases. This approach may also be practical for solving other similarly complex problems. The algorithm is available at http://chm-fiefp.net/ .
研究领域:
中药学
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生物信息学
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肿瘤学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Chemical Biology & Drug Design
·
2023
·Vol. 103
·期 1
·e14363
·
IF 3
Chun Li,Yuxin Xie,Shaoyu Hu,Hong Yu,Yunke Xu,Hongping Shen,Yuan Yuan,Long Gu,Bangming Pu
Hepatocellular carcinoma (HCC) is a life-threatening disease for which there is no cure. Traditional Chinese medicine is a treasure trove of Medicinals that has been used for thousands of years. In China, the traditional herb pair, Curcumae Rhizoma and Sparganii Rhizoma (CR-SR) represent a classic herbal combination used for the treatment of HCC. However, the drug targets and pharmacological mechanism of action of CR-SR in the treatment of HCC are unclear. To address this, we screened the active components and drug targets of CR-SR from the Traditional Chinese Medicine Systems Pharmacology (TCMSP) database and a high-throughput experiment- and reference-guided database of traditional Chinese medicines (HERB database). Combined with the weighted co-expression network analysis of dataset GSE76427, we constructed an active component-target-disease regulatory network. It was found that CR-SR's active components for HCC treatment included trans-gondoic acid, beta-sitosterol, stigmasterol, hederagenin, and formononetin. These compounds specifically targeted the genes Estrogen Receptor 1 ( ESR1 ), Cyclin A2 ( CCNA2 ), Checkpoint Kinase 1 ( CHEK1 ), and Nuclear Receptor Coactivator 2 ( NCOA2 ). ESR1 , CCNA2 , and CHEK1 genes showed significant differences in survival prognosis, expression levels, and statistical significance during the pathological stage. Moreover, their high affinity for formononetin was determined through molecular docking analysis. Cell assays and high-throughput sequencing were performed to reveal that the inhibitory effect of formononetin on HepG2 cell proliferation was related to hepatocyte metabolism and cell cycle regulation-related pathways. This study provides insights into potential HCC treatments.
研究领域:
肿瘤学
·
药理学
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生物信息学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF ETHNOPHARMACOLOGY
·
2021
·
IF 4.36
Hui Zhang,Ruoyu Chen,Cong Xu,Guimin Zhang,Yongxia Guan,Qun Feng,Jingchun Yao,Jizhong Yan
Background Due to the complexity of traditional Chinese medicine (TCM), the current quality evaluation of TCM are difficult to associate with clinical efficacy. Shenqi Jiangtang Granule (SJG), a classical TCM formula, is proven as a therapy for treatment of type II diabetes mellitus (DM) and complications while the substantial basis of the therapeutic effects is not clear. Purpose The present study proposed an integrated approach to discriminate the quality markers (Q-markers) based on multi-dimensional characteristic network for quality control of TCM. Methods The multi-dimensional characteristic network was established by “Spider-web” mode, which was comprehensively integrating “compatibility-content-activity- efficiency-stability” of the candidate ingredients. The activity dimension was evaluated by the inhibitory activity of SJG on α-glucosidase and aldose reductase . The efficacy dimension was assessed through the association between the compounds and the target pathway of diabetic nephropathy (DN) based on integrated pharmacology platform. Each dimension for the feature network was quantified by multivariate statistical analysis, and regression area of the candidate compounds was constructed in the network. Finally, the candidate compounds were sorted comprehensively by the regression area. Results A total of 30 chemical compounds with effective hypoglycemic activity were identified as the potential Q-markers. From the data analysis, three dimensions of activity, efficacy and content performed a greater impact on the regression area of the characteristic network. Among these compounds, ginsenoside Re , ginsenoside Rd , ginsenoside Rg 1, calycosin , ginsenoside Rb 1 , formononetin , astragaloside IV , ginsenoside Rf , ginsenoside Rc , notoginsenoside Fe, schisandrol A, gomisin D were screened out as the candidate Q-markers of SJG. Conclusion The multi-dimensional characteristic network integrating compatibility, content, activity, efficiency and stability is efficient to discriminate the potential Q-markers of TCM prescription. Our results demonstrated that 12 candidate compounds from Panax Ginseng , Radix Astragali and Schisandrae Chinensis might select as Q-markers for qualitative evaluation of SJG.
研究领域:
中药学
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生物信息学
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药理学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF CHROMATOGRAPHY A
·
2014
·
IF 4.258
Zhenhao Li,Shun Xiao,Ni Ai,Kedi Luo,Xiaohui Fan,Yiyu Cheng
In comparison with monotherapy in western medicine, traditional Chinese medicine (TCM) advocates combinational therapy for treating diseases and TCM formula is a representative for this approach. Despite of extensive clinical applications of TCM formulae, knowledge about their pharmacological activities, mechanisms of action and cellular targets remains limited. A main contributing factor to these unanswered questions is unavailability of chemical compositions and their contents in the formulae. Several challenges hinder global qualitative and quantitative analysis of the formulae, including large quantities of constituents, potential physicochemical changes during decoction and lack of authentic standards. Herein we introduced an integrated strategy based on liquid chromatography coupled with mass spectrometry (LC-MS) systems to address such challenges. First, liquid chromatography-ion trap and quadrupole time-of-flight mass spectrometry (LC-IT/MS and LC-QTOF/MS) were utilized to characterize chemical profiling of the formulae. Meanwhile, MS 2 of IT/MS produced major parameters for derivative multiple reaction monitoring (DeMRM) on liquid chromatography-triple quadrupole mass spectrometry (LC-TQ/MS), which offered rapid and direct transition design in the quantitative assay. Instead of authentic standards, serial dilutions of single herbs were employed in this study to construct calibration curves necessary for calculating relative concentrations of components. Xiao-Banxia decoction and its four analogous formulae were then taken to exemplify the feasibility of currently proposed methodology. Among the 160 qualitatively identified components, a total of 138 components were semi-quantified for these decoctions. Based on these results, we demonstrated that co-decoction of different herbs could result in concentration variations of components and this effect was more prominent when certain herbs were combined. Our results indicated that the present strategy would significantly contribute to chemical studies on TCM and its utilities could be extended to other research fields, such as metabolomics and comparative chemistry.
研究领域:
中药学
·
分析化学
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药理学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Journal of Integrative Agriculture
·
2014
·
IF 0.625
Sui XIAO,Chen-zhong FEI,Li-fang ZHANG,Wen-li ZHENG,Ke-yu ZHANG,Fei-qun XUE
Quality control and screening of active substances in traditional Chinese medicines have been performed using fingerprint analysis. The spectrum-effect relationship between chromatography fingerprints and efficacy of herbal drugs is considered as a potentially useful method for determining active ingredients in complex mixtures. The study was designed to develop a method for determining the bioactive components of a compound Chinese medicine called Tiefeng based on spectrum-effect relationships between high-performance liquid chromatography (HPLC) fingerprints and anticoccidial activities. Four peaks of the established HPLC fingerprint indicate the main bioactive components of this medicine. In addition, pharmacodynamic atlas was defined and used to assess the anticoccidial activity of Tiefeng from different sources for the first time. We found that the level of anticoccidial activity of Tiefeng was consistent with the degree of similarity between the pharmacodynamic atlas and chromatogram of any sample. Furthermore, effect of this medicine was related with the main active constituents, along with the origin and the harvesting time.
研究领域:
中药学
·
药理学
✓ 已验证
DOI
高影响因子
JOURNAL OF SEPARATION SCIENCE
·
2024
·Vol. 47
·期 21
·e70019
·
IF 2.8
Gang Chen,Nan Ge,Le Yang,Hui Sun,Ye Sun,Guangli Yan,Ying Han,Xiang Li,Xijun Wang
Guyinjian (GYJ) is a classic traditional Chinese medicine formula for the treatment of polycystic ovary syndrome, ovulation disorders, immuno-sterility, oligomenorrhea with kidney deficiency, and so forth. Due to the unclear chemical components of GYJ, the elucidation of the pharmacological mechanism, and the comprehensive development and utilization of GYJ in clinical is being restricted. In this study, ultra-high-performance liquid chromatography with quadrupole time-of-flight-tandem mass spectrometry combined with the Progenesis QI platform and using reference standards, online and self-built databases matching, fragmentation rules analysis of mass spectrometry peaks, a total of 235 compounds were preliminarily characterized, including 69 flavonoids, 65 terpenoids, 34 phenylpropanoids, 22 saccharides, sugar esters, and glycosides, 15 organic acids, and 30 others. These compounds may reflect the chemical properties of GYJ. The method established in this study can systematically, rapidly, and accurately resolve the chemical components in GYJ, which lays the foundation for further establishment of the pharmacodynamic substance basis and quality control.
研究领域:
中医药学
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分析化学
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药理学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
TALANTA
·
2025
·
IF 6.1
Ming Cai,Siqi Wang,Jiayi Jiang,Kai Gao,Guoxiang Sun
Traditional Chinese medicine compound (TCMC) comes from a wide range of sources, and the complexity of chemical composition leads to differences in quality. Improving quality evaluation standards is the focus as well as the difficulty in its development and application. The traditional fingerprint analysis method has certain limitations for the quality evaluation of TCMC and the judgment of superior and inferior products. Therefore, how to optimize the similarity evaluation method of fingerprint and mine the sample data on the basis of fingerprint to fully reflect the essential differences in the quality of TCMC is the focus of this paper. In this paper, the quantified fingerprint method of integral efficiency (IEQFM) combined with dual control of peak area and retention time was proposed to optimize the similarity evaluation method. The HPLC, GC and UV fingerprints of 35 batches of compound liquorice tablets (CLTs) were evaluated as an example. The offline-wavelength switching method was explored to simplify the multi-wavelength data processing method. Secondly, the 11 components in the CLTs were accurately quantitatively analyzed by the single-linear assay multi-markers method and the standard curve method. Orthogonal partial least squares-discriminant analysis (OPLS-DA) analysis was used to find the signature components affecting the quality difference. For UV spectra, quantum fingerprints were obtained by preprocessing using characteristic concatenation method and quantitatively predicted using the partial least squares regression (PLSR) model ( p > 0.7). Finally, the three fingerprint profiles were fused and evaluated after assigning weights to the different evaluation methods using the criteria importance through intercriteria correlation (CRITIC) method. In order to adapt to the evolving TCMC, method optimization is of great significance to improve the quality evaluation criteria. This study provides an exploratory method for the quality analysis of TCMC.
研究领域:
中药学
·
分析化学
·
药理学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF SEPARATION SCIENCE
·
2021
·Vol. 44
·期 19
·3562-3579
·
IF 3.645
Jian Kang,Zhi Sun,Lianping Xue,Zhuolun Li,Xiaoyue Bao,Zhenhui Wang,Feng Fan,Shengjie Li,Die Hu,Xiaojian Zhang,Lihua Zuo
Zilongjin tablets as a traditional Chinese medicine are widely used for primary lung cancer patients with deficiency of “ qi ” and “ blood ” syndrome undergoing chemotherapy. It is a compound preparation that consists of eight herbs. To clarify the chemical profiling of Zilong Jin tablets rapidly, a feasible and accurate strategy was developed by the ultra high performance liquid chromatography-quadrupole/orbitrap high resolution mass spectrometry. According to the accurate mass and fragment ion information provided by high resolution mass spectrometry, the compounds were reasonably identified. In total, 74 compounds were characterized, including 20 flavonoids, 14 quinones, 15 organic acids, 6 phthalide compounds, and 19 other compounds. Among them, 34 major compounds were unambiguously confirmed by comparing with reference standards. This study could provide an important scientific basis for further research on quality control, pharmacokinetics and pharmacodynamics, and clinical application of Zilong Jin tablets.
研究领域:
中药学
·
分析化学
·
药理学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Journal of Pharmaceutical Innovation
·
2022
·Vol. 17
·期 4
·1305-1313
·
IF 2.538
Lu Shao Hua,Zhang Ming Cai,Zhai Hong Lin,Bi Ke Xin,Zhao Bing Qiang
Purpose Due to the large number of chemical components in Chinese patent medicine, the quality control analysis is faced with greater challenges. Although different detection techniques, analytical conditions, and sample pretreatments are often employed respectively to quantify the multiple target components in complex mixtures, it is difficult to meet the practical requirement of productive enterprises. Methods Tchebichef moments (TMs) were calculated from the raw HPLC–DAD spectra of samples and the linear quantitative models were established by stepwise regression for the eight active components (four alkaloids, one statin, and three glycosides) in Daizongfang (one kind of Chinese patent medicines), respectively. Results The correlation coefficients of prediction ( \({R}_{p}^{2}\) ) were higher than 0.9159, and the spiked recovery rates were from 93.4 to 108.2%. Compared with the N-PLS and MCR-ALS models, the TM models are more accurate and reliable. Conclusions This study not only indicates that chemometrics approach has outstanding advantages for the identification of complex signal, but also provides another way for the rapid analysis of quality control in production.
研究领域:
药学
·
分析化学
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）