BIOMEDICAL CHROMATOGRAPHY
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2025
·Vol. 39
·期 5
·e70060
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IF 1.7
Weijie Pan,Qianru Chen,Menghua Wu,Yue Sun,Ming Li,Shumei Wang,Xingyang Xue,Jiang Meng
Moutan Cortex (MC) is a renowned Chinese medicine used for promoting blood circulation and removing blood stasis. However, the active ingredients are unclear. This study aimed to identify and validate the active ingredients of MC. UPLC fingerprints of 23 batches of MC from various origins were analyzed. The activating blood efficacy of MC was assessed by evaluating the inhibitory effects on thrombin and factor Xa (FXa) using the chromogenic substrate method. Active ingredients were identified through spectrum-effect relationship analysis using gray relation analysis (GRA), partial least squares (PLS), and support vector machine (SVM) algorithms. Consequently, five components were identified as potential active ingredients: mudanpioside H, oxypaeoniflorin, 1,2,3,4,6-penta-O-galloyl-β-d-glucose (PGG), benzoyloxypaeoniflorin, and suffruticoside A/B/C/D. The pharmacological activities of these five active ingredients were further confirmed by measuring their thrombin inhibition ability and antithrombotic effects in zebrafish, and their interactions with thrombin and FXa were examined using molecular docking technology. Oxypaeoniflorin, benzoyloxypaeoniflorin, and PGG demonstrated significant efficacy in promoting blood circulation and resolving blood stasis, as well as strong binding affinities. This study provides a biochemical foundation for the anticoagulant effects of MC and offers valuable insights for quality control and the development of novel anticoagulant ingredients drugs.
研究领域:
中药学
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生物信息学
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药理学
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DOI
PubMed
高影响因子
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
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2022
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IF 8.025
Meng Zhang,Licheng Yang,Maomao Zhu,Bing Yang,Yanjun Yang,Xiaobin Jia,Liang Feng
Growing evidence suggests that polysaccharides from traditional Chinese medicine positively affect diabetic kidney disease (DKD) mainly through modulating gut microbiota. Previously, we demonstrated that supplementation with the polysaccharide from Moutan Cortex (MC-Pa) alleviated DKD in rats. The study intends to investigate the dynamic modulation of MC-Pa on DKD from the gut microbiota perspective. The DKD rat model was induced by a high-fat and high-sugar diet combined with streptozotocin (STZ). The rats were then supplemented with MC-Pa (80 and 160 mg/kg BW) for 12 weeks. The results showed that MC-Pa administration relieved hyperglycemia and renal injury in DKD rats. MC-Pa also reconstructed gut microbiota, improved intestinal barrier function, reduced serum proinflammatory mediators, and elevated the short-chain fatty acid (SCFAs) contents. In addition, the dynamics of Lactobacillus and Muribaculaceae_unclassified were in a dose- and time-dependent manner. Spearman correlation analysis found that a cluster of gut microbiota phyla and genera were significantly associated with DKD-related indicators. These results demonstrated that MC-Pa positively affected DKD rats by modulating gut microbiota dynamically and had potential as a prebiotic.
研究领域:
药理学
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微生物学
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糖尿病学
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肾病学
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DOI
PubMed
高影响因子
MICROCHEMICAL JOURNAL
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2022
·
IF 5.304
Zhenwei Lan,Ying Zhang,Huajian Lin,Yue Sun,Shumei Wang,Jiang Meng
Now, almost all solutions are moving toward miniaturization of devices. Stir-frying, as a food processing process, presents field analysis challenges to the NIR foundation. Therefore, in this paper, Moutan Cortex, a functional food product that requires strict control of stir-frying degree, with a variety of biological activities such as antioxidant, anti-inflammatory and protection of cardiovascular system, was investigated to realize the qualitative and quantitative analysis of the product on site through miniaturized spectrometer NIR-S-G1. TANGO FT-NIR, a precision benchtop instrument, was applied as a reference to observe the field analysis performance of the instrument. The results show that the handheld device can accurately judge the products of different stir-frying degrees by SVM model with the accuracy rate of 100%. At the same time, it can accurately and quantitatively monitor the four main components in the process. Also combinations of optimization algorithms (Competitive Adaptive Weighted sampling, variable combination population analysis combined with iteratively retaining informative variables and genetic algorithm) and regression models (Partial least squares regression and Support Vector Machine) were investigated to perform a better result. Therefore, this work provided a reference for the field analysis of NIR technology from qualitative and quantitative analysis in this specific analytical application.
研究领域:
食品科学
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分析化学
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高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
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2025
·
IF 3.1
Ying Qiao,Yatong Kang,Tingze Long,Han Yi,Feng Wang,Chao Chen
Moutan Cortex (MC), recognized as a traditional Chinese medicinal herb, possesses significant therapeutic properties. The existing quality assessment method only measures the content of one component in MC, which is obviously not comprehensive enough. Besides, the determination process is time-consuming and laborious.Thus, this article presents a novel approach for the rapid, precise, and efficient quality assessment of MC based on near-infrared spectroscopy (NIR) technology in combination with the bionic swarm intelligent optimization algorithms. First, MC samples were collected and acquired with the NIR spectra in diffuse reflectance mode. Second, the content of paeonol, paeoniflorin, and gallic acid in MC was determined by high-performance liquid chromatography, and the content of total flavonoids and phenols was determined by UV–visible spectrophotometry. Afterward, all the measured content was analyzed in correlation with the NIR spectra of MC, and the partial least squares regression method was utilized to build the models. Especially, to improve the models’ performance, five famous bionic swarm intelligent optimization algorithms were investigated to perform the wavelength selection. As a result, the models’ performance was significantly enhanced. The coefficient of determination ( R 2 ) > 0.9 and residual prediction deviation ( RPD ) > 3 were observed on the calibration set and the prediction set. Thus, we believe that bionic swarm intelligent optimization algorithms have the potential to enhance the performance of quantitative models considerably, which offers substantial support for the quality assessment of MC and shows promising applications in the domain of NIR analysis.
研究领域:
中药学
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分析化学
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人工智能
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PubMed
高影响因子
JOURNAL OF ETHNOPHARMACOLOGY
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2023
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IF 5.4
Yuting Huang,Qianru Chen,Weijie Pan,Ying Zhang,Jiasheng Li,Xingyang Xue,Xinhe lei,Shumei Wang,Jiang Meng
Ethnopharmacological relevance As a traditional Chinese medicine , raw Moutan Cortex (RMC) has been used in clinical practice for thousands of years. However, its blood-cooling and blood-activating medicinal effects as well as the underlying mechanisms have not been preliminarily verified until recent years. Aim of the study Our group's previous network pharmacological studies suggested that RMC might exert its blood-activating and anti-inflammatory effects by modulating the coagulation-inflammation cascade pathway. Therefore, the present study aimed to further investigate the mechanisms relevant to the blood-activating and anti-inflammatory effects of RMC so as to provide more robust data supporting its clinical application. Materials and methods The inflammation and coagulation models of human umbilical vein endothelial cells (HUVECs) were induced by TNF-α; The rat models with blood-heat and blood-stasis syndrome (BHS) were constructed by ice-water bath with a combined use of epinephrine hydrochloride and dried yeast; The thrombus models of zebrafish were induced by arachidonic acid , and the inflammation models were established using LPS and CuSO 4 . The regulatory effects of RMC on the key targets in the pathway of the coagulation-inflammation cascade were investigated by combining ELISA , RT-PCR, and western blot techniques in an attempt to provide multiple validations concerning RMC's pharmacological efficacy and mechanism associated with cooling blood and activating blood circulation. Result The findings from the pharmacodynamic research demonstrated that RMC could inhibit the coagulation and inflammation process of HUVECs. Besides, it lowered the anal temperature and whole blood viscosity in BHS rats in addition to a prolongation of their prothrombin time (PT), thrombin time (TT), and activated partial thromboplastin time (APTT). Successfully constrained thrombotic area and reduced inflammatory cell counts were also observed in zebrafish models. Meanwhile, ELISA, RT-PCR and WB showed that RMC were capable of inhibiting the factors related to coagulation-MARK inflammation pathway—FⅡ, TF, FⅦ, FⅧ, FⅩ, and PAI, as well as down-regulating the expression of IL-6, COX-2, iNOS, TNF-α, ERK, JNK and p38. Conclusion RMC exerts blood-activating and anti-inflammatory effects through regulating the target genes of the coagulation-MARK inflammation cascade pathway.
研究领域:
民族药理学
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药理学
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中药
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细胞生物学
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动物模型
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DOI
PubMed
高影响因子
ULTRASONICS SONOCHEMISTRY
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2026
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IF 10.2
Shaojie Yin,Weilong Peng,Yongjuan Wang,Hui Lu,Peng Liu,Xinchi Zhu,Haifeng Yang,Jingui Li,Liuhui Li
Moutan Cortex is a valuable medicinal resource rich in bioactive polyphenols, yet its sustainable valorization is often hindered by the inefficiencies and environmental concerns associated with conventional extraction methods. In this study, a green and efficient ultrasound-assisted extraction (UAE) strategy was developed using a betaine-levulinic acid (Bet-LevA) natural deep eutectic solvent (NADES). An intelligent optimization approach was applied to determine the optimal extraction conditions, achieving a maximum total polyphenol content of 27.03 ± 0.41 mg GAE/g DW, which was 1.93-fold higher than that obtained using 70% ethanol extraction. The molecular mechanisms underlying the superior extraction performance of Bet-LevA were further elucidated using FT-IR, conductor-like screening model for realistic solvents (COSMO-RS), and molecular dynamics (MD) simulations, revealing that hydrogen-bond networks and stronger solvent-polyphenol interactions promoted solubilization and stabilization of phenolic compounds. Furthermore, the extracted polyphenol fraction effectively alleviated fatty acid-induced lipid accumulation in AML-12 hepatocytes. Overall, this study provides a sustainable extraction framework integrating green solvent design, intelligent optimization, molecular mechanism analysis, and functional evaluation for the high-value utilization of Moutan Cortex in functional foods and nutraceutical applications. Download: Download high-res image (305KB) Download: Download full-size image
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高影响因子
Frontiers in Pharmacology
·
2024
·
IF 4.4
Zou Caomin,Chen Qianru,Li Jiasheng,Meng Jiang
Moutan Cortex (MC) has been used in treating inflammation-associated diseases and conditions in China and other Southeast Asian countries. However, the active components of its anti-inflammatory effect are still unclear. The study aimed to screen and identify potential cyclooxygenase-2 (COX-2) inhibitors in MC extract. The effect of MC on COX-2 was determined in vitro by COX-2 inhibitory assays, followed by bio-affinity ultrafiltration in combination with ultra-performance liquid chromatography-mass spectrometry (BAUF-UPLC-MS). To verify the reliability of the constructed approach, celecoxib was applied as the positive control, in contrast to adenosine which served as the negative control in this study. The bioactivity of the MC components was validated in vitro by COX-2 inhibitor assay and RAW264.7 cells. Their in vivo anti-inflammatory activity was also evaluated using LPS-induced zebrafish inflammation models. Finally, molecular docking was hired to further explore the internal interactions between the components and COX-2 residues. The MC extract showed an evident COX-2-inhibitory effect in a concentration-dependent manner. A total of 11 potential COX-2 inhibitors were eventually identified in MC extract. The COX-2 inhibitory activity of five components, namely, gallic acid (GA), methyl gallate (MG), galloylpaeoniflorin (GP), 1,2,3,6-Tetra-O-galloyl-β-D-glucose (TGG), and 1,2,3,4,6-Penta-O-galloyl-β-D-glucopyranose (PGG), were validated through both in vitro assays and experiments using zebrafish models. Besides, the molecular docking analysis revealed that the potential inhibitors in MC could effectively inhibit COX-2 by interacting with specific residues, similar to the mechanism of action exhibited by celecoxib. In conclusion, BAUF-UPLC-MS combining the molecular docking is an efficient approach to discover enzyme inhibitors from traditional herbs and understand the mechanism of action.
研究领域:
药理学
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分析化学
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生物化学
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中药学
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DOI
PubMed
高影响因子
EXPERIMENTAL AND APPLIED ACAROLOGY
·
2023
·Vol. 91
·期 4
·615-628
·
IF 2.2
Zou Minghui,Xue Qiqi,Teng Qiao,Zhang Qiqi,Liu Ting,Li Yuanyuan,Zhao Jinhong
Aleuroglyphus ovatus (Acari: Acaridae) is a major pest mite of stored grains that is distributed worldwide. Paeonol, a phenolic component of the essential oil extracted from the Chinese herb Paeonia moutan , possesses a range of biological activities, including antiviral, antifungal and acaricidal activity. This study investigated the bioactivity of paeonol against A. ovatus and its effect on the activity of detoxification enzymes. The bioactivity of paeonol against A. ovatus was determined by contact, fumigation and repellency bioassays, and the mechanism was preliminarily explored via morphological observation of the color changes of mite epidermis and determination of the changing trend of some important enzymes associated with acaricidal efficacy in the mites. The results showed that the median lethal concentration (LC 50 ) in the contact and fumigation bioassays was 9.832 μg/cm 2 and 14.827 μg/cm 3 , respectively, and the acaricidal activity of paeonol was higher under direct contact than under fumigation. Dynamic symptomatology studies registered typical neurotoxicity symptoms including excitation, convulsion and paralysis in A. ovatus treated with paeonol. The enzyme activity of catalase (CAT), nitric oxide synthase (NOS) and glutathione-S-transferase (GST) was higher, whereas the activity of superoxide dismutase (SOD) and acetylcholinesterase (AChE) was lower, compared to the control group. CAT, NOS and GST were activated, whereas SOD and AChE activities were inhibited after paeonol intervention. Our findings suggest paeonol has potent acaricidal activity against A. ovatus and thus may be used as an agent to control the stored-product mite A. ovatus .
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PubMed
高影响因子
CANADIAN JOURNAL OF CHEMICAL ENGINEERING
·
2022
·Vol. 101
·期 7
·3771-3785
·
IF 2.5
Siying Wang,Lanlan Xie,Qilei Yang,Yuting Geng,Hedi Kang,Xiuhua Zhao
This study aimed to obtain paeonol with high purity by using the combination of steam distillation and antisolvent recrystallization (ASR) and to reduce the energy consumption and CO 2 emission in the preparation process. First, different experimental parameters were optimized by response surface methodology (RSM). Under the optimal conditions, the purity and yield of the as-obtained paeonol were about 98% and 56.97%, respectively. The physicochemical properties of purified paeonol were tested, showing consistency with those of standard paeonol. The energy consumption and CO 2 emission of the preparation process of ASR and single-solvent recrystallization were also investigated. Results showed that the energy consumption and CO 2 emission of ASR were about 4.41 J/mg and 0.006 kg/mg, respectively, which were 6.89 J/mg and 0.0095 kg/mg lower than those of ethanol recrystallization, respectively, and 50.22 J/mg and 0.0144 kg/mg lower than methanol those of recrystallization, respectively. The above results showed that ASR could obtain paeonol with high purity in a high-efficiency, low-energy, and environmentally protective manner.
研究领域:
中药化学
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环境科学
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制药工程
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高影响因子
危险品化学品经营许可证（带存储）