PHYTOCHEMICAL ANALYSIS
·
2025
·
IF 2.6
Shanghong Li,Cuifen Fang,Sinan Wang,Hsiuting Chang,Cheng Zheng,Yi Wang,Yu Tang
Introduction Despite significant advances in analytical methods, the quality evaluation and adulteration detection of chemically complex traditional Chinese medicines continues to be a major challenge. Objectives We developed a custom diffusion-ordered spectroscopy (DOSY) approach for the qualitative analysis of precious Calculus Bovis (CB) and detection of its adulterants. Methods Using Artificial Calculus Bovis as an example, we focused on the effects of NMR spectrometers, solvent viscosity, matrices, matrix concentration, and temperature on separation efficiency of DOSY. The optimal conditions also successfully applied for the identification of Natural Calculus Bovis, Calculus Bovis Sativus, and adulterated samples. The accuracy of DOSY was verified by 13 C NMR. Results Via inspection of NMR spectrometers, solvents, matrices, matrix concentration, and temperature, the optimal conditions for DOSY experiments of CB were found to be using methanol- d 4 as the solvent, adding 4 mg of polyvinyl pyrrolidone (PVP) as the matrix, and a temperature of 298 K. Under these conditions, five types of compounds, cholic acid (CA), deoxycholic acid (DCA), hyodeoxycholic acid (HDCA), taurine-conjugated bile acids (tBAs), and glycine-conjugated bile acids (gBAs), were unequivocally identified in three types of CB. 13 C NMR validated the accuracy of the DOSY results. As for the sugar-adulterated CB, the signals of sugar could be clearly identified on the DOSY spectrum. Conclusions This study verified the feasibility of DOSY for the quality evaluation of CB and provided a reference point for future qualitative and quantitative analysis of other complex traditional Chinese medicines, as well as the characterization of adulterated samples.
研究领域:
中药学
·
分析化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF ETHNOPHARMACOLOGY
·
2025
·
IF 5.4
Jianchao Li,Yuanjing Ma,Nuo Deng,Fei Wang,Yi Tao,Huilin Zhu,Weichen Xu,Jinjun Shan,Yongming Li,Xiao Wu
Ethnopharmacological relevance Realgar is a traditional Chinese medicine rich in arsenic, and long-term use may lead to arsenic poisoning. The toxicity of realgar has primarily focused on the liver and kidney, with limited studies on its intestinal toxicity. Niuhuang Jiedu Tablet (NHJDT) is a renowned realgar-containing formula for clearing heat and detoxifying. NHJDT compatibility significantly reduces the toxicity of realgar, but the detoxification effects and underlying mechanisms in reducing realgar-induced intestinal toxicity remain unclear. Aim of the study The study aims to investigate the detoxification mechanism of NHJDT's compatibility in reducing the intestinal toxicity of realgar. Materials and methods To evaluate the intestinal detoxification efficacy of NHJDT, mice were orally administered 0.5 % CMC-Na, realgar (0.5 and 1.0 g/kg) or NHJDT (3.9 and 7.8 g/kg) for 14 days. The intestinal detoxification effects of NHJDT were evaluated by toxic symptoms and intestinal barrier function. Changes of body weight, colon length, histopathological damage, tight junction and MUC2 proteins, and goblet cells were determined. The inflammatory factors and DAO were detected by ELISA. Further investigations including 16S rRNA sequencing, untargeted metabolomics, targeted short-chain fatty acid metabolomics and molecular docking assays were performed to explore the underlying detoxification mechanisms of NHJDT. Additionally, targeted microbiota and its derived metabolite gavage were conducted in mice to verify the detoxification effects. Results NHJDT's compatibility significantly mitigated realgar-induced intestinal toxicity and gut barrier damage. It restored gut microbiota homeostasis by modulating the abundance of Akkermansia and concurrently enhanced the transformation from tryptophan to indole-3- lactate (ILA). The supplementation with Akkermansia muciniphila ( A. muciniphila ) and its derived ILA activated the aryl hydrocarbon receptor (AhR) in mice, thereby ameliorating realgar-induced intestinal damage. Conclusion NHJDT's compatibility alleviated realgar-induced intestinal toxicity by activating the AhR pathway via A. muciniphila and ILA. This study elucidates the detoxification mechanism of NHJDT's compatibility and offers novel insights for the clinical treatment of arsenic poisoning.
研究领域:
药理学
·
微生物学
·
毒理学
·
代谢组学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Current Pharmaceutical Analysis
·
2022
·Vol. 18
·期 2
·193-198
·
IF 0.743
Xu Bo-Yang,Zhu Si-Qi,Cheng Xian-Xin,Xu Yu,Liu Ji-Wu
Background: Compound Niuhuang Xiaoyan capsule is a realgar and cinnabar-containing traditional Chinese medicine, the contents of total arsenic and total mercury are found over regulation defined limits. However, only small amounts of arsenic in realgar and mercury in cinnabar are dissolved
in the gastric juice, so the determination of soluble arsenic and soluble mercury is more significant than that of total arsenic and total mercury in Compound Niuhuang Xiaoyan capsule. Objective: To study the contents of total arsenic, total mercury, soluble arsenic and soluble mercury
in Compound Niuhuang Xiaoyan capsule. Methods: Microwave digestion and semi-bionic extraction were used to pretreat the samples of Compound Niuhuang Xiaoyan capsule, and the inductively coupled plasma mass spectrometry method was established to determine the contents of total arsenic,
total mercury, soluble arsenic and soluble mercury in Compound Niuhuang Xiaoyan capsule. The accuracy of the established method was further evaluated by using a certified standard reference material prepared from dried citrus leaves (GBW10020(GSB-11)). Results: The spiked recoveries were
within 95-105 %. The R.S.D% of repeatability (N=6) and precision (N = 6) were below 5.0 %. The correlation coefficients of linear (R) for arsenic and mercury were both above 0.998. The limits of quantification (LOQ) were below 0.1 μg/L. The contents of As and Hg were defined in the dried
citrus leaves and very near to the standard values provided by the manufacturer. The established method was applied for the analysis of three batches of Compound Niuhuang Xiaoyan capsule produced by three different manufacturers successfully. Insufficient realgar or cinnabar was formulated
in some Compound Niuhuang Xiaoyan capsule samples. Conclusion: The analysis showed that the contents of soluble arsenic and soluble mercury in artificial gastric juice were significantly less than that of total arsenic and total mercury in Compound Niuhuang Xiaoyan capsule. The results
provided a reference for further study on the toxicology and pharmacokinetics of Compound Niuhuang Xiaoyan capsule.
研究领域:
中药学
·
分析化学
·
毒理学
✓ 已验证
DOI
高影响因子
MICROCHEMICAL JOURNAL
·
2024
·
IF 4.9
Youyuan Lu,Jing Wang,Donghua Yu,Yong-Jie Yu,Kai He,Lanping Guo,Luqi Huang,Hanqing Wang
Bovis calculus has been used as a traditional Chinese medicine for more than 2000 years. Due to Natural Bovis calculus (NBC) is expensive and rare. To meet the clinical needs, three kinds of Bovis calculus substitutes, namely Bovis calculus sativus (BCS), Bovis calculus artifactus (BCA), and Bovis calculus culture (BCC) were approved to be used. To illustrate the characterization of metabolite landscape of the Bovis calculus sources, untargeted metabolomics by UHPLC-HRMS was carried out on four sources of Bovis calculus. The results showed that a total of 12,643 features were observed in Bovis calculus samples. The four Bovis calculus sources could be clearly discriminated based on 6262 significant difference features according to PCA and PLS-DA. NBC and BCA samples showed different metabolites characterization. BCS and BCC samples showed similarity with each other. The quality of BCC was affected by producers. Heat map analysis results showed that identified 43 chemical compounds can be used as marker to classified Bovis calucus sources. These compounds mainly affected bile acid biosynthesis, betaine metabolism, and taurine and hypotaurine metabolism. As we know, this is the first comprehensive comparison of the metabolite difference among NBC, BCS, BCC and BCA based on untargeted metabolomics combined with chemometric. The results illustrated that the material basis of the four Bovis calculus source was not consistent, it correlated with the producing process. BCS and BCC may be used to replace each other. It provides a theoretical basis for its clinical application.
研究领域:
中药学
·
代谢组学
·
分析化学
✓ 已验证
产品关联
DOI
高影响因子
TALANTA
·
2021
·
IF 6.057
Xinyue Li,Yaqi Yao,Meiling Chen,Haoran Ding,Chenrui Liang,Ling Lv,Huan Zhao,Guanru Zhou,Zhanglong Luo,Yubo Li,Han Zhang
In the clinical application of Traditional Chinese Medicine (TCM) substitutes, the consistency evaluation of TCM substitutes from different sources is recognized as the main bottleneck. As the most widely used analytical method in TCM consistency evaluation, fingerprint similarity evaluation suffers from insufficient method sensitivity and poor conformity with the actual characteristics of TCM, which is difficult to adapt to the analytical needs of complex substance systems of TCM. This work aims to develop an effective and more accurate method for consistency evaluation using omics strategy and machine learning algorithms. The natural calculus bovis (NCB) were graded into three groups according to the similarity to in vitro cultured bovis (IVCB), and chemical markers between samples of each grade were screened out. Support vector machine (SVM) models with different kernels were then constructed by using the chemical markers as feature variables. The results showed that the classification accuracy of the SVM classifier of NCB and the consistency evaluation SVM model classifier was 95.74% and 100.0%, respectively. The approach demonstrated in the study presented a good analytical performance with higher sensitivity, accuracy for consistency evaluation of TCM.
研究领域:
药理学
·
生物信息学
·
中药
·
机器学习
✓ 已验证
产品关联
DOI
PubMed
高影响因子
INDUSTRIAL CROPS AND PRODUCTS
·
2025
·
IF 6.2
Zhichao Wang,Yajun Shi,Fei Luan,Dongyan Guo,XiaoFei Zhang,Bingtao Zhai,Liang Feng,Junbo Zou
Essential oils, key active components in traditional Chinese medicine (TCM) with broad pharmacological activities, are prone to oxidation and degradation during storage and use, limiting their clinical application. This study, guided by the concept of "combination of medicine and adjuvant", uses PEG 20,000 modified artificial bezoar (MAB) as a Pickering emulsion stabilizer to encapsulate Acorus tatarinowii essential oil (ATEO). The MAB shows increased contact angle and remarkable changes in surface morphology and chemical structure. Single-factor experiments optimize the emulsion preparation conditions: MAB concentration at 15 mg/mL, oil phase volume fraction at 60 %, shear rate at 12,000 rpm, and shear time at 2 min. The resulting Pickering emulsion is of O/W type, with a particle size of 1300 nm and a zeta potential of 32.50 mV, exhibiting good stability. Ozone stability tests reveal that the Pickering emulsion effectively reduces the peroxide value (POV) and malondialdehyde value (MDA) of ATEO, curbing the oxidative degradation of its major components. In vitro and in vivo release behavior studies show that the Pickering emulsion encapsulated ATEO exhibits different regulatory effects on α- and β-asarone. Overall, this study offers a novel and effective strategy for enhancing the oxidative stability of essential oils in TCM.
研究领域:
药剂学
·
中医药学
·
食品科学
·
材料科学
·
药理学
✓ 已验证
产品关联
DOI
高影响因子
XENOBIOTICA
·
2021
·
IF 1.908
Yun-Jing Zhang,Wen-Li Zhou,Fei Yu,Qian Wang,Can Peng,Jia-Yi Kan
Bovis Calculus Artifactus (BCA) is the main substitute for natural Calculus bovis, a traditional drug in China used to treat high fever, convulsion, and sore throat. The effect of BCA on cytochrome P450 (CYP) activities is unknown. This study was to investigate the effect of BCA on eight rat hepatic microsomal CYPisozymes to evaluate the potential drug interactions using the cocktail approach.Metabolites of the eight isoform probe substrates of CYP isozymes were quantified by LC-MS/MS. The method was validated by incubating known CYP inhibitors α-naphthoflavone (CYP1A2), thiotepa (CYP2B1), quercetin (CYP2C7), sulfaphenazole (CYP2C6), ticlopidine (CYP2C11), quinidine (CYP2D1), ketoconazole (CYP3A1),4-methylpyrazole (CYP2E1) with individual probe substrate and rat liver microsomes. The formation rates of the corresponding metabolites of the eight probe substrates were determined to evaluate the activity of each isozyme.The results showed that BCA has different degrees of inhibitory effect on four CYP450 isoforms (CYP2C6, CYP2C11, CYP2D1, CYP3A1) (p < 0.05), but no significant influence on CYP1A2, 2B1, 2C7 or 2E1 (p > 0.05). Attention should be paid to the BCA-drug interactions by careful monitoring and appropriate dosage adjustments in the concurrent use of the drugs which are metabolized by CYP1A2, CYP2C19, and CYP3A4. Abbreviations: BCA, bovis calculus artifactus; CYP, cytochrome P450; DDIs, drug-drug interactions; ESI, electrospray ionization; MRM, multiple reaction monitoring; NBC, Natural Bovis Calculus; QC, quality control; T CM, traditional Chinese medicine.
研究领域:
药理学
·
药物代谢
·
中医药
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Oxidative Medicine and Cellular Longevity
·
2022
·
IF 7.31
Lei Song,Qihui Wu,Xiaomei Fu,Wentao Wang,Zhao Dai,Yong Gu,Yue Zhuo,Shuhuan Fang,Wei Zhao,Xiaoyun Wang,Qi Wang,Jiansong Fang
An-Gong-Niu-Huang-Wan (AGNHW) is a well-known formula for treating cerebrovascular diseases, with roles including clearing away heat, detoxification, and wake-up consciousness. In recent years, AGNHW has been commonly used for the treatment of ischemic stroke, but the mechanism by which AGNHW relieves stroke has not been clearly elucidated. In the current study, we developed a multiple systems pharmacology-based framework to identify the potential antistroke ingredients in AGNHW and explore the underlying mechanisms of action (MOA) of AGNHW against stroke from a holistic perspective. Specifically, we performed a network-based method to identify the potential antistroke ingredients in AGNHW by integrating the drug-target network and stroke-associated genes. Furthermore, the oxygen-glucose deprivation/reoxygenation (OGD/R) model was used to validate the anti-inflammatory effects of the key ingredients by determining the levels of inflammatory cytokines, including interleukin (IL)-6, IL-1β, and tumor necrosis factor (TNF)-α. The antiapoptotic effects of the key ingredients were also confirmed in vitro. Integrated pathway analysis of AGNHW revealed that it might regulate three biological signaling pathways, including IL-17, TNF, and PI3K-AKT, to play a protective role in stroke. Moreover, 30 key antistroke ingredients in AGNHW were identified via network-based in silico prediction and were confirmed to have known neuroprotective effects. After drug-like property evaluation and pharmacological validation in vitro, scutellarein (SCU) and caprylic acid (CA) were selected for further antistroke investigation. Finally, systems pharmacology-based analysis of CA and SCU indicated that they might exert antistroke effects via the apoptotic signaling pathway and inflammatory response, which was further validated in an in vitro stroke model. Overall, the current study proposes an integrative systems pharmacology approach to identify antistroke ingredients and demonstrate the underlying pharmacological MOA of AGNHW in stroke, which provides an alternative strategy to investigate novel traditional Chinese medicine formulas for complex diseases.
研究领域:
药理学
·
神经科学
·
中医药学
·
分子生物学
✓ 已验证
DOI
PubMed
高影响因子
Evidence-based Complementary and Alternative Medicine
·
2021
·
IF 2.63
Songsong Wang,Xiao Xiao,Ao Li,Peng Li
An-Gong-Niu-Huang Wan (AGNH) has been a well-known cinnabar- and realgar-containing compound recipe for cerebral diseases. Unfortunately, its clinical practice is often restrained by the specific hepatorenal toxicity of cinnabar and realgar (C + R). In previous research studies, we have found that the antioxidative and anti-inflammatory effects of its herbal constituents could mitigate the risks from the toxicity. The underlying detoxification mechanisms are still unsolved. The present study investigated the protective effects of AGNH’s herbal constituents on hepatorenal injury induced by C + R. For the mice treated with C + R, the increased expression levels of sensitive biomarkers of metal exposure and hepatorenal toxicity, including metallothionein (MT) in both hepatorenal tissues and kidney induced molecule-1 (KIM-1) in the kidney, were simultaneously reduced when C + R coadministered with other herbal medicines. In addition, the contents of trivalent As (AsIII), pentavalent As (Asv), and mercury (Hg) in hepatorenal tissues of mice were also significantly reduced benefiting from the herbal constituents in AGNH. Further mechanism studies showed that the herbal constituents in AGNH could downregulate the expressions of uptake transporters (AQP9 and OAT1) and upregulate the expressions of efflux transporters (P-gp, MRP2, and MRP4) in mice intoxicated by C + R. Our results suggested that AGNH’s herbal constituents protect the body against C + R-induced hepatorenal toxicity and accumulations of Hg and As, which could be associated with the reestablishment of heavy metal homeostasis and the detoxification system.
研究领域:
药理学
·
毒理学
·
分子生物学
·
药学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）