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Phillinus gilvus (Schwein.) Pat has pharmacological effects such as tonifying the spleen, dispelling dampness, and strengthening the stomach, in which sterol is one of the main compounds of P. gilvus, but there has not been thought you to its extraction and detailed identification of its composition, in the present study, we used artificial neural network (ANN) and response surface methodology (RSM) to optimize the conditions of ultrasonic-assisted extraction, and the parameters of the independent and interaction effects were evaluated. Ultra performance liquid chromatography-quadrupole-time of flight mass spectrometry (UPLC-Q-TOF-MS/MS) was used to identify the major components in the purified extract. The results showed that the optimal extraction process conditions were: ultrasonic time 96 min, ultrasonic power 140 W, liquid to material ratio 1:25 g/ml, and ultrasonic temperature 30.7 °C. The compliance rates of the predicted and experimental values for the artificial neural network model and the response surface model were 98.3% and 96.12%, respectively, indicating that both models have the potential to be used for optimizing the extraction process of P. gilvus in industry. A total of 120 compounds and 30 major steroids were identified by comparison with the reference compounds. Among the major steroidal components are these findings will contribute to the isolation and utilization of active ingredients in P. gilvus. [ABSTRACT FROM AUTHOR]

Introduction: This study aims to investigate the impact of geographical origin on the metabolite composition and bioactivity of Thesium chinense Turcz. (TCT), a member of the Apiaceae family renowned for its wide range of pharmacological properties, including antioxidant, antimicrobial, and anti-inflammatory effects. In this study, we investigated the whole plants of TCT from different regions in China, aiming to explore the geographical variation of TCT. Methods: A non-targeted metabolomics approach was employed using ultra-high-performance liquid chromatography combined with quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS). Principal component analysis (PCA) and partial least squares discriminant analysis (PLS-DA) were utilized to identify and differentiate the metabolite profiles. We investigated the bioactivity, antioxidant activity, total flavonoid content (TFC), and the content of characteristic compounds from TCT sourced from different regions. This aims to further explore the metabolic differences and quality characteristics of TCT from various origins. Results: PCA and PLS-DA analyses indicated that samples from different origins could be clearly distinguished. The analysis revealed 54 differential metabolites, predominantly flavonoids and alkaloids. KEGG pathway analysis indicated significant variations in the biosynthesis pathways of flavonoids and flavanols among the samples. TCT from Anhui province exhibited the highest TFC and strongest antioxidant and anti-inflammatory activities, while samples from Jilin province showed the lowest. Discussion: A strong correlation was observed between metabolite content and geographical origins, suggesting that the bioactivity of TCT is significantly influenced by its provenance. Additionally, the antioxidant and anti-inflammatory activities of TCT were validated, showing a strong predictive relationship with TFC. This research highlights the potential of metabolomics in discerning the subtleties of plant metabolomes, contributing to the advancement of traditional Chinese medicine and its integration into modern healthcare practices. [ABSTRACT FROM AUTHOR]

This study investigates the incorporation of anthocyanin-rich extracts from Mountain Pepper Berry (MPB) and Queen Garnet Plum (QGP) into pectin-based films to develop pH-sensitive indicators. Using glycerol as an extraction solvent, significant differences in anthocyanin composition were identified: MPB extracts contained a diverse range of anthocyanin species, with a total content of 267.13 ± 5.21 mg L⁻¹, compared to the predominantly cyanidin-based QGP extracts, with 222.14 ± 1.61 mg L⁻¹. Differences in anthocyanin structures were elucidated using UPLC-Q-ToF-MS/MS analysis. FTIR and UV-Vis spectroscopy were used to assess the compatibility of the extracts with pectin and the homogeneity of anthocyanins within the film structure. Mechanical testing revealed that MPB films exhibited superior tensile strength (8.53 ± 0.51 MPa), stiffness (2274 ± 158.64 gmm− 1), and energy to failure (141.7 ± 16.23 J m− 3) compared to QGP films, which had lower tensile strength (7.74 ± 0.32 MPa), stiffness (1947 ± 125.82 gmm− 1), and energy to failure (115 ± 18.81 J m− 3). Both film types displayed similar moisture content (MPB: 48.89%, QGP: 48.13%) and water vapour permeability, indicating comparable barrier properties. When exposed to volatile ammonia, QGP films showed a more pronounced colour change, attributed to their anthocyanin profile, with a notable shift from red to brown. This research highlights the potential of glycerol-extracted anthocyanins from Australian native fruits as functional additives in pectin films, offering promising applications for intelligent packaging with enhanced mechanical performance and responsive colour-changing properties. [ABSTRACT FROM AUTHOR]

Objective: To elucidate the small molecule peptides in Shanxi vinegar and further explore their potential mechanism of action against cardiovascular and other related diseases. Methods: The small molecule peptides of Shanxi vinegar were analyzed using ultra-performance liquid chromatography-quadrupole-time of flight mass spectrometry (UPLC-Q-TOF-MS/MS). The targets and pathways of small molecule peptides were predicted via Genecards, Drugbank 5.0, DAVID, and other databases. The "component-target-signaling pathway-disease" network was constructed using Cytoscape software. Autodock Dock 1.5.6 and Pymol 2.2.0 were used to perform molecular docking between the core targets of Shanxi vinegar and the components. Results: A total of 41 small molecule peptide compounds were identified by UPLC-Q-TOF-MS/MS, which including 27 cyclic dipeptides, 10 linear dipeptides, and 4 tripeptides. The "component-target-signaling pathway-disease" network, contributing to the health-promoting effects on cardiovascular and obesity, encompasses 14 active components and 109 drug targets. A total of 59 pathways were identified by Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis. Molecular docking results demonstrated favorable binding interactions between the core targets (F2, MAPK1, MMP9, VCAM1) and the corresponding active components Cyclo (Leu-Pro), Val-Val, Pro-Phe, Cyclo (His-Pro) in Shanxi vinegar, which preliminarily confirming the accuracy of the network pharmacology prediction. Conclusion: Shanxi vinegar might prevent and regulate cardiovascular diseases and obesity through multiple components, targets and pathways.

Abstract Elephantopus tomentosus (ET) Linn. was reported to be an anti-tumor plant. However, the chemical composition of ET and its anti-tumor compounds and potential mechanisms still unclear. In this paper, UPLC-Q-TOF–MS/MS was firstly used to identified the ingredients in ET and UPLC was used to determine the main compounds of ET. Network pharmacology was applied to predict the potential mechanisms of anti-liver cancer. Anti-tumor nuclear activate compounds and targets of ET were obtained and the anti-liver cancer effect was validated on HepG2. Finally, Molecule docking, RT-qPCR, and western blotting were used for verification of the relationship between nuclear activate compounds and nuclear targets and the potential anti-cancer mechanisms. The result showed that 42 compounds were identified in ET, which consisted of sesquiterpene lactones, flavonoids, and phenylpropanoid compounds. Scabertopin (ST), chlorogenic acid, Isochlorogenic acid B, Isochlorogenic acid A and Isochlorogenic acid C were identified as main compounds and were determined as 0.426%, 0.457%, 0.159%, 0.701%, and 0.103% respectively. 24 compounds showed high pharmacokinetics and good drug-likeness. 520 overlapping targets of the ET compounds and liver cancer were collected. The targets were used for KEGG and GO analysis. GO enrichment analysis suggested that the targets of 24 active compound closed related to promote apoptosis, inhibit proliferation, and regulate oxidative levels. KEGG enrichment analysis suggested that pathway in cancer was enriched most and p38 MAPK/p53 signaling pathway, which closely related to promoting apoptosis and inhibiting proliferation. Compounds-targets analysis based on the parameter of Betweenness, Closeness, Information, Eigenvector, Degree, and component content indicated that ST was the nucleus anti-tumor active compound of ET. HepG2 was first used to validated the anti-tumor effect of ST and the result showed that ST significantly inhibited HepG2 proliferation with a low IC50 less than 5 μM. Nucleus active compound targets, including TP53, CASP3, BCL2, EGFR, TNF-a, IL-1β, and IL-6 were enriched based on degree value of PPI analysis. Molecule docking suggested that ST showed a good combination to TGFBR1 with the combination energy less than − 5 kcal/mol. RT-qPCR result also suggested that ST significantly medicated the mRNA expression level of TP53, CASP3, BCL2, EGFR, TNF-a, IL-1β, and IL-6. Protein expression of p-p38/p38 and p-p53/p53 notable increased by ST treatment. In conclude, combining with UPLC-Q-TOF–MS/MS qualitative analysis, UPLC quantitative analysis, network pharmacology analysis, molecule docking, and in vitro experiments on HepG2, we suggest that ST is an anti-tumor ingredient of ET, which may target to TGFBR1 and promote apoptosis and inhibited proliferation of HepG2 by activating p38 MAPK/p53 signaling pathway. ST can be regarded as a quality marker of ET.

Callerya speciosa is a perennial edible and medicinal plant belonging to the family Fabaceae. This study was to reveal the similarities and differences between phytochemicals in different parts of C. speciosa using a combination of ultra-performance liquid chromatography with quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS/MS), principal component analysis (PCA) and orthogonal projection to latent structures discriminant analysis (OPLS-DA). In addition, the anti-diabetic activity of C. speciosa extracts was explored. A total of 141 compounds were identified and 34 robustly known chemical markers were marked. PCA and heat map analyses revealed that the stems, leaves and pods had similar phytochemical compounds, while compounds in roots and flowers differed from each other and from those in the above ground parts. In addition, extracts of C. speciosa roots and flowers exhibited anti-diabetic activity, which can be applied to the development of anti-diabetic drugs. [ABSTRACT FROM AUTHOR]

Objective UPLC-Q-TOF-MS integrated molecular network strategy was used to rapidly analyze and identify the chemical components of Yuye detoxification Particle. Methods The secondary mass spectrometry data of compounds were obtained using mass spectrometry scanning in both positive and negative ion mode. The similarity of MS/MS fragmentation patterns was calculated to create the global natural product social molecular networking (GNPS) platform. The major components in Yuye detoxification Particle were quickly identified according to the molecular clusters with similar structures in GNPS. Manual analysis and identification of other compounds were performed according to the mass fragment ion information of the primary and secondary mass spectrum data and related references by using the molecular feature extraction (MFE) function of Agilent Masshunter Qualitative Analysis workstation and traditional Chinese Medicine composition database (TCM-DATA) . Results A total of 89 compounds in Yuye detoxification Particle were identified by LC-MS, including 22 phenoliacids, 21 flavonoids and their glycosides, 6 iridoid glycosides, 28 triterpenoid saponins and 12 other types of ingredients. Conclusion UPLC-Q-TOF-MS/MS integrated molecular network technology can be used for rapid and systematic identification of chemical components of Yuye detoxification Particle, which provides theoretical basis for its quality control and clinical application. The established molecular network can provide reference for rapid qualitative analysis of components of traditional Chinese medicine compound. [ABSTRACT FROM AUTHOR]

Elephantopus tomentosus (ET) Linn. was reported to be an anti-tumor plant. However, the chemical composition of ET and its anti-tumor compounds and potential mechanisms still unclear. In this paper, UPLC-Q-TOF–MS/MS was firstly used to identified the ingredients in ET and UPLC was used to determine the main compounds of ET. Network pharmacology was applied to predict the potential mechanisms of anti-liver cancer. Anti-tumor nuclear activate compounds and targets of ET were obtained and the anti-liver cancer effect was validated on HepG2. Finally, Molecule docking, RT-qPCR, and western blotting were used for verification of the relationship between nuclear activate compounds and nuclear targets and the potential anti-cancer mechanisms. The result showed that 42 compounds were identified in ET, which consisted of sesquiterpene lactones, flavonoids, and phenylpropanoid compounds. Scabertopin (ST), chlorogenic acid, Isochlorogenic acid B, Isochlorogenic acid A and Isochlorogenic acid C were identified as main compounds and were determined as 0.426%, 0.457%, 0.159%, 0.701%, and 0.103% respectively. 24 compounds showed high pharmacokinetics and good drug-likeness. 520 overlapping targets of the ET compounds and liver cancer were collected. The targets were used for KEGG and GO analysis. GO enrichment analysis suggested that the targets of 24 active compound closed related to promote apoptosis, inhibit proliferation, and regulate oxidative levels. KEGG enrichment analysis suggested that pathway in cancer was enriched most and p38 MAPK/p53 signaling pathway, which closely related to promoting apoptosis and inhibiting proliferation. Compounds-targets analysis based on the parameter of Betweenness, Closeness, Information, Eigenvector, Degree, and component content indicated that ST was the nucleus anti-tumor active compound of ET. HepG2 was first used to validated the anti-tumor effect of ST and the result showed that ST significantly inhibited HepG2 proliferation with a low IC50 less than 5 μM. Nucleus active compound targets, including TP53, CASP3, BCL2, EGFR, TNF-a, IL-1β, and IL-6 were enriched based on degree value of PPI analysis. Molecule docking suggested that ST showed a good combination to TGFBR1 with the combination energy less than − 5 kcal/mol. RT-qPCR result also suggested that ST significantly medicated the mRNA expression level of TP53, CASP3, BCL2, EGFR, TNF-a, IL-1β, and IL-6. Protein expression of p-p38/p38 and p-p53/p53 notable increased by ST treatment. In conclude, combining with UPLC-Q-TOF–MS/MS qualitative analysis, UPLC quantitative analysis, network pharmacology analysis, molecule docking, and in vitro experiments on HepG2, we suggest that ST is an anti-tumor ingredient of ET, which may target to TGFBR1 and promote apoptosis and inhibited proliferation of HepG2 by activating p38 MAPK/p53 signaling pathway. ST can be regarded as a quality marker of ET. [ABSTRACT FROM AUTHOR]

Chlorella species of microalgae are utilized in the crop and food industries. The aim of this research was to investigate the metabolite profiles of Chlorella fusca for the first time and evaluate its biological properties. The two ion modes of UPLC-Q-TOF-MS/MS were used to identify a total of 62 components in the methanol extract of C. fusca, with 26 in the negative and 36 in the positive ion mode, including 10 identical ingredients. Fatty acids (negative mode) and combinations of chlorophyll and fatty acids (positive mode) were the most prevalent chemical structures, constituting over 80 and 70% of the total metabolites, respectively, followed by chlorophyll, polar lipids, carotenoids, and fatty alcohols. Moreover, this extract exhibited potent antioxidant and anti-aging benefits in decreasing order of potency at a concentration of 200 |g mL-1: tyrosinase inhibition (100%), ABTS radical scavenging (90%), elastase inhibition (88%), and DPPH radical scavenging (34%). Notably, this extract protected the mobility of DNA fragments up to 5 μg mL-1 (26%), with potential effects (> 60% at 200 μg mL-1). These findings suggest that C. fusca may be a promising candidate for applications related to its biological functions, owing to the high accumulation of fatty acids and chlorophyll derivatives. [ABSTRACT FROM AUTHOR]

Pholidota cantonensis Rolfe is an edible medicinal plant in the genus Pholidota of the family Orchidaceae. This plant is used to prepare medicated food in China and has been reported to possess anti-α-glucosidase activity. To date, little is known about the active substances responsible for the observed anti-α-glucosidase activity. In the present study, we aimed to screen and characterize the α-glucosidase inhibitory fraction of P. cantonensis using ultraperformance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC–Q–TOF–MS/MS) analysis and molecular docking. As a result, the 50% ethanol fraction obtained from D101 macroporous adsorption resin column chromatography (D50 fraction) had the highest total phenol content (353.83 ± 6.06 mg GAE/g) and the most prominent α-glucosidase inhibitory activity (IC50 = 30.01 ± 7.30 µg/mL). Forty-five compounds were identified from the D50 fraction by using UPLC–Q–TOF–MS/MS analysis. Molecular docking results showed that six main constituents, namely, crepidatin, 2,7-dihydroxy-4-methoxyl-9,10-dihydrophenylene, 4,4ʹ,5,6-tetrahydroxystilbene, 4,7-dihydroxy-2-methoxyl-9,10-dihydrophenylene, (-)-lariciresinol, and thunalbene, in the D50 fraction occupied the catalytic sites of α-glucosidase through strong hydrophobic interactions, hydrogen bonding, and other patterns. The binding energies were between − 29.95 and − 11.41 kJ/mol, indicating good binding between the tested compounds and α-glucosidase. The active ingredients responsible for the α-glucosidase inhibitory activity may include phenanthrenes, stilbenes, dibenzyls, and lignans. The D50 fraction has potential value for developing innovative drugs for the prevention and treatment of diabetes mellitus (DM) and is worthy of in-depth research. [ABSTRACT FROM AUTHOR]

IntroductionThis study aims to investigate the impact of geographical origin on the metabolite composition and bioactivity of Thesium chinense Turcz. (TCT), a member of the Apiaceae family renowned for its wide range of pharmacological properties, including antioxidant, antimicrobial, and anti-inflammatory effects. In this study, we investigated the whole plants of TCT from different regions in China, aiming to explore the geographical variation of TCT.MethodsA non-targeted metabolomics approach was employed using ultra-high-performance liquid chromatography combined with quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS). Principal component analysis (PCA) and partial least squares discriminant analysis (PLS-DA) were utilized to identify and differentiate the metabolite profiles. We investigated the bioactivity, antioxidant activity, total flavonoid content (TFC), and the content of characteristic compounds from TCT sourced from different regions. This aims to further explore the metabolic differences and quality characteristics of TCT from various origins.ResultsPCA and PLS-DA analyses indicated that samples from different origins could be clearly distinguished. The analysis revealed 54 differential metabolites, predominantly flavonoids and alkaloids. KEGG pathway analysis indicated significant variations in the biosynthesis pathways of flavonoids and flavanols among the samples. TCT from Anhui province exhibited the highest TFC and strongest antioxidant and anti-inflammatory activities, while samples from Jilin province showed the lowest.DiscussionA strong correlation was observed between metabolite content and geographical origins, suggesting that the bioactivity of TCT is significantly influenced by its provenance. Additionally, the antioxidant and anti-inflammatory activities of TCT were validated, showing a strong predictive relationship with TFC. This research highlights the potential of metabolomics in discerning the subtleties of plant metabolomes, contributing to the advancement of traditional Chinese medicine and its integration into modern healthcare practices.

Prinsepia utilis Royle, native to the Himalayas, is esteemed in Chinese and Indian folk medicine for its diverse medicinal benefits, targeting arthritis, pain relief, bone disorders, and joint discomfort. This study examined the 25% aqueous methanol extract of P. utilis leaves using UPLC‐Q‐TOF‐MS/MS, identifying 78 metabolites, 76 of which were reported for the first time in P. utilis. These included 64 phenolics represented by 56 flavonoids, 5 phenolic acids, 3 phenolic glycosides, 4 terpenoids, 2 lignan glycosides, and 8 other compounds, expanding the knowledge of its chemical composition. These findings lay a foundation for further research, providing insights into potential bioactive compounds and opening avenues for applications in natural product drug discovery, traditional medicine, and nutraceutical development, leveraging the plant's established traditional uses. [ABSTRACT FROM AUTHOR]

Mushrooms contain phenolic compounds that possess health-promoting properties, including antioxidant effects. However, the low solubility and form of phenolic compounds affect their bioactivity and bioaccessibility. To overcome this limitation, our study investigates the fermentation of mushrooms to increase their free phenolic content and enhance their bioactivity. Our research focused on the impact of fermentation on both free and bound phenolic fractions (FPs and BPs, respectively) in Lentinula edodes and Lactarius deliciosus, which were successively fermented with Lactiplantibacillus plantarum LMG 17673 for 72 h. We examined the total phenolic content (TPC), phenolic profile, and antioxidant activity of both FPs and BPs. Our results showed that the TPC of BPs was higher than that of FPs in both mushrooms, with strong antioxidant capabilities. Fermentation significantly increased the TPC of FPs in both mushrooms, particularly after 24 h of fermentation. The TPC of BPs in mushrooms decreased during fermentation, indicating their release from the matrix. Additionally, we identified 30 bioactive compounds using UPLC-Q-TOF-MS/MS. Our study demonstrates for the first time that lactic acid bacteria fermentation of mushrooms with high phenolic content leads to the liberation of bound phenolics, enhancing their bioactivity and bioaccessibility. [ABSTRACT FROM AUTHOR]

Acute lung injury (ALI) is a diffuse inflammatory lung injury caused by various internal and external causal elements. In addition to its medical benefits, PGD can also be used to steep tea, which has the effect of lung-moistening and expectotant, and has been demonstrated to exert a protective effect against ALI. However, its exact mechanism of action is unknown. C57BL/6 mice were divided into different groups to study the therapeutic effects of different doses of PGD and dexamethasone. The chemical composition of PGD was analyzed using UPLC-Q-TOF-MS/MS and network pharmacology was used to identify its active components and pathways. In vitro molecular docking and in vivo pharmacodynamic experiments were conducted to further investigate its mechanism of action. In vivo experiments demonstrated that PGD mitigated histopathological alterations, reduced the total leukocyte count, total protein concentration, and suppressed levels of IL-6, TNF-α, and IL-1β in lung tissue. Additionally, PGD decreased levels of IL-6, TNF-α, and IL-1β in BALF, as well as levels of IL-6 and TNF-α in serum. Network pharmacology analysis revealed GAPDH, TP53, AKT1, ALB, TNF, IL-6, VEGFA, EGFR, STAT3, and JUN as core targets, with the key pathways identified as PI3K/AKT and NF-κB. Additional western blotting and qPCR further confirmed that PGD significantly reduced the ratios of p-PI3K/PI3K, p-AKT/AKT, and p-NF-κB/NF-κB, as well as the mRNA levels of PI3K, AKT, and NF-κB. PGD shows promise in alleviating ALI by modulating the PI3K/AKT/NF-κB signaling pathway, suggesting its potential as a targeted therapeutic approach for LPS-induced ALI.

To find the chemical markers of wine‐processed Salvia miltiorrhiza (WSM), 76 constituents, including diterpenoid quinones and phenolic acids in Salvia miltiorrhiza (SM) and WSM, were profiled using ultrahigh‐performance liquid chromatography‐quadrupole‐time‐of‐flight‐tandem mass spectrometry (UPLC‐Q‐TOF‐MS/MS) in positive‐ and the negative‐ion modes. Thirty compounds were screened out as candidate differential components using chemometrics analysis, and the concentration of most compounds increased after processing with wine. Seven compounds, namely tanshinone IIA, magnesium lithospermate B, salvianolic acid G, cryptotanshinone, isocryptotanshinone, salvianolic acid B, and rosmarinic acid, were selected as chemical markers of WSM using variable importance of the project. This study revealed the chemical markers of WSM and confirmed that WSM can improve the extraction and solubility effect of chemical constituents. [ABSTRACT FROM AUTHOR]

Copyright of Journal of Chinese Institute of Food Science & Technology / Zhongguo Shipin Xuebao is the property of Journal of Chinese Institute of Food Science & Technology Periodical Office and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

The objective of our study was to analyze and identify enzymatic peptides from straw mushrooms that can enhance salty taste with the aim of developing saltiness enhancement peptides to reduce salt intake and promote dietary health. We isolated taste-related peptides from the straw mushroom extract using ultrafiltration and identified them using UPLC-Q-TOF-MS/MS. The study found that the ultrafiltration fraction (500–2000 Da) of straw mushroom peptides had a saltiness enhancement effect, as revealed via subsequent E-tongue and sensory analyses. The ultrafiltration fractions (500–2000 Da) were found to contain 220 peptides, which were identified through UPLC-Q-TOF-MS/MS analysis. The interaction of these peptides with the T1R1/T1R3 receptor was also assessed. The investigation highlighted the significant involvement of Asp223, Gln243, Leu232, Asp251, and Pro254 in binding peptides from triple-enzymatically hydrolyzed straw mushrooms to T1R1/T1R3. Based on the binding energy and active site analysis, three peptides were selected for synthesis: DFNALPFK (−9.2 kcal/mol), YNEDNGIVK (−8.8 kcal/mol), and VPGGQEIKDR (−8.9 kcal/mol). Importantly, 3.2 mmol of VPGGQEIKDR increased the saltiness level of a 0.05% NaCl solution to that of a 0.15% NaCl solution. Additionally, the addition of 0.8 mmol of YNEDNGIVK to a 0.05% NaCl solution resulted in the same level of saltiness as a 0.1% NaCl solution. [ABSTRACT FROM AUTHOR]

Paeonia ludlowii (PL) and oil-producing peony (OP) are unique peony species in China. Due to the high content of unsaturated fatty acids in PL seeds, it can be used as a new resource for OP. In this study, 137 compounds were identified in PL seeds in qualitative analysis by UPLC-Q-TOF–MS/MS, including flavonoids, terpenoids, fatty acid esters, phenolic acids, etc. Except for 5 fatty acids, the other components were first reported in the literature of PL. There were 26 components exist only in seed kernel, 21 components exist only in seed coat, and 90 components exist both in seed kernel and coat. 35 of 61 differential components were first reported in the peony literature, and these components were identified in the chemical difference analysis between seed kernel and coat of PL, seed kernel of PL and OP, and seed coat of PL and OP. Quantitative analysis manifested that the weight of palmitic acid, oleic acid and linoleic acid accounted for 60.7% in the seed kernel of PL, while the average content in that of OP was 46.7%. Among them, the content of linolenic acid was about 3 times higher. This study further clarified the material basis of PL seeds, and also analyzed the chemical differences between the seeds of PL and OP. It was confirmed from the chemical level that the seed oil in PL was better than that in OP. The results of this study laid a solid foundation for the subsequent development of new products of PL. [ABSTRACT FROM AUTHOR]

Copyright of Journal of Shenyang Pharmaceutical University is the property of Shenyang Pharmaceutical University and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Introduction: The root of Bupleurum scorzonerifolium Willd. (BS) is officially recognized in the Chinese Pharmacopoeia. In contrast, the aerial part of BS (ABS), accounting for 80% of BS, is typically discarded, causing potential waste of medicinal resources. ABS has shown benefits in the treatment of inflammation‐related diseases in China and Spain, and the material basis underlying its anti‐inflammatory effects must be systematically elucidated for the rational use of ABS. Objective: We aimed to screen and validate the anti‐inflammatory quality markers (Q‐markers) of ABS and to confirm the ideal time for ABS harvesting. Methods: The chemical components and anti‐inflammatory effects of ABS from 10 extracted parts were analyzed by UPLC‐Q‐TOF‐MS/MS and in a lipopolysaccharide (LPS)‐induced cell model. Anti‐inflammatory substances were screened by Pearson bivariate analysis and gray correlation analysis, and the anti‐inflammatory effects were verified in a zebrafish tail‐cutting inflammation model. HPLC was applied to measure the Q‐marker contents of ABS in different harvesting periods. Results: Ten ABS extracts effectively alleviated the increase in LPS‐induced proinflammatory cytokines in RAW 264.7 cells. Forty components were identified from them, among which 27 were common components. Eight components were correlated with anti‐inflammatory effects, which were confirmed to reverse the expression of proinflammatory and anti‐inflammatory factors in a zebrafish model. Chlorogenic acid, hypericin, rutin, quercetin, and isorhamnetin can be detected by HPLC, and the maximum contents of these five Q‐markers were obtained in the sample harvested in August. Conclusion: The anti‐inflammatory Q‐markers of ABS were elucidated by chromatographic‐pharmacodynamic‐stoichiometric analysis, which served as a crucial basis for ABS quality control. We systematically analyzed the chemical composition of ABS and identified a total of 40 components. Through correlation analysis, five components were determined as the anti‐inflammatory Q‐markers of ABS and a quantitative method was established to measure the content of these Q‐markers, aiming to determine the optimal harvesting time for ABS. These findings demonstrate that ABS is one of the finest medicinal plant resources with anti‐inflammatory properties, laying a solid foundation for further development and utilization of ABS resources. [ABSTRACT FROM AUTHOR]

The differences in the chemical composition of Morus nigra (M. nigra) extracts from four different extraction methods, ultrasound-assisted extraction with pure water (WU), pure water decoction extraction (WD), ultrasonic-assisted extraction with formic acid water (FAU), and pure water heat reflux extraction (WHR), were identified using ultra-high performance liquid chromatography-quadrupole time-of-flight tandem mass spectrometry (UPLC-Q-TOF-MS/MS) technology.

Moutan Cortex (MC) is a traditional Chinese medicine that contains abundant medicinal components, such as paeonol, paeoniflorin, etc. Paeonol is the main active component of MC. In this study, paeonol was extracted from MC through an ultrasound-assisted extraction process, which is based on single-factor experiments and response surface methodology (RSM). Subsequently, eight macroporous resins of different properties were used to purify paeonol from MC. The main components of the purified extract were identified by ultra-performance liquid chromatography–quadrupole–time of flight–mass spectrometry (UPLC-Q-TOF-MS/MS). The results indicate the optimal parameters are as follows: liquid-to-material ratio 21:1 mL/g, ethanol concentration 62%, ultrasonic time 31 min, ultrasonic temperature 36 °C, ultrasonic power 420 W. Under these extraction conditions, the actual yield of paeonol was 14.01 mg/g. Among the eight tested macroporous resins, HPD-300 macroporous resin was verified to possess the highest adsorption and desorption qualities. The content of paeonol increased from 6.93% (crude extract) to 41.40% (purified extract) after the HPD-300 macroporous resin treatment. A total of five major phenolic compounds and two principal monoterpene glycosides were characterized by comparison with reference compounds. These findings will make a contribution to the isolation and utilization of the active components from MC. [ABSTRACT FROM AUTHOR]

Copyright of Journal of Shenyang Pharmaceutical University is the property of Shenyang Pharmaceutical University and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Sanguinarine (SAN), as the main active component of a traditional Chinese veterinary medicine, has been widely used in the animal husbandry and breeding industry. However, the metabolites of SA are still uncertain. Therefore, this research aimed to investigate the metabolites of SA based on rats in vivo. The blood, feces, and urine of rats were collected after the oral administration of 40 mg/kg SAN. Ultra-high-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS/MS) was employed to identify the metabolites of SAN. The elemental composition of sanguinarine metabolites was inferred by analyzing their exact molecular weight, and the structures of the metabolites were predicted based on their fragment ions and cleavage pathways. A total of 12 metabolites were identified, including three metabolites in the plasma, four in the urine, and nine in the feces. According to the possible metabolic pathways deduced in this study, SAN was mainly metabolized through reduction, oxidation, demethylation, hydroxylation, and glucuronidation. This present research has summarized the metabolism of SAN in rats, which is helpful for further studying the metabolic mechanism of SAN in vivo and in vitro. [ABSTRACT FROM AUTHOR]

[Objectives] This study was conducted to explore the action mechanism of chemical components from stems of Isodon suzhouensis on prostate cancer based on UPLC-Q-TOF-MS/MS technique, network pharmacology, and molecular docking validation. #Methods] UPLC-Q-TOF-MS/MS was applied to search active components in stems of I. suzhouensis, and SwissTargetPrediction and PharmaMapper databases were used to predict their potential targets. The GeneCards database was adopted to screen the targets of prostate cancer, and the targets of the active components and the targets of prostate cancer were intersected to obtain common targets. A protein-protein interaction network was constructed, and also, an "active component-target-disease-pathway" network was constructed using Metascape for gene ontology function and Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis. Moreover, AutoDock was adopted to perform molecular docking verification on key active components and core targets. #Results] Sixty three active components were screened from stems of I. suzhouensis, and they had 233 common targets with prostate cancer, mainly involving biological processes such as protein phosphorylation, response to hormones, active regulation of cell movement, cell response to lipids, and response to oxidative stress, as well as pathways in cancer, prostate cancer, micro ribonucleic acids in cancer, p53 signaling pathway, NF-KB signaling pathway and other signaling pathways, exerting anti-tumor effects. Molecular docking showed that the top 5 key active components had good binding ability with the top 5 core targets. [Conclusions] Active components from stems of I suzhouensis can exert therapeutic effects on prostate cancer through multiple targets and pathways. [ABSTRACT FROM AUTHOR]

Abstract Background Traditional Chinese medicine (TCM) posits that Chinese medicinal materials can only be clinically used after being processed and prepared into decoction pieces. Schisandra Chinensis Fructus (derived from the dried and mature fruits of Schisandra chinensis (Turcz.) Baill.) has been used as a traditional antiasthmatic, kidney strengthening, and hepatoprotective agent for 2000 years. The results of previous research show that decoction pieces of wine-steamed Schisandra chinensis (WSC) are more effective than raw decoction pieces of Schisandra chinensis (RSC) for treating cough and asthma. Steaming with wine was demonstrated to promote the dissolution of ingredients. However, the relationship between the changes in the components of the decoction pieces of WSC and the therapeutic effect remains unclear. Methods The efficacies of decoctions of RSC and WSC were compared using allergic asthma rats. The potential bioactive components in the serum of the WSC treatment group and the changes in the chemical composition of the RSC decoction pieces before and after wine steaming were determined by ultra-performance liquid chromatography quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS/MS) and ultra-high-performance liquid chromatography tandem mass spectrometry (UPLC H-CLASS XEVO TQD) to speculate quality markers (Q-markers) related to the efficacy of WSC, which were subsequently verified based on a zebrafish inflammation model. Results Steaming RSC decoction pieces with wine was found to promote improvement of allergic asthma. Reverse tracing of 22 components detected in the serum of the high dose group of WSC (WSC-H) resulted in 12 ingredients being finally designated as potential effective components. Among these ingredients, 5 components, Schisandrin, Schisandrol B, Schisandrin A, Schisandrin B, and Gomisin D, had higher dissolution rates than RSC after steaming with wine. Validation by an inflammatory zebrafish model showed that these 5 ingredients had a dose-dependent effect and were therefore Q-markers for WSC in the treatment of allergic asthma. Conclusion In this study, changes in the components of decoction pieces of RSC and WSC and Q-markers related to WSC efficacy were identified, providing valuable information for expanding the application of WSC and establishing a specific quality standard for WSC.

Trachelospermum jaminoides, a liana of family Apocynaceae, is used as classic traditional Chinese medicine recorded in the Chinese Pharmacopoeia, and Ficus tikoua, a liana of family Moraceae, is used as its customary supply in some ethnic districts, both of which are used as remedies for the inflammation-related disease. In order to determine the differences of anti-inflammatory activity and related chemical constituents between the two medicinal materials, the cell viability test was used to detect the cytotoxicity (RAW264.7) of the medicinal parts in T. jaminoides and F. tikoua at different concentrations, and the Griess method was applied to detect the inhibitory effects of the two species on nitric oxide (NO) production in LPS-induced RAW264.7 cells in vitro. The ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS/MS) combined with the OPLS-DA model in multivariate statistics were used to identify the differential chemical constituents between the medicinal parts in T. jaminoides and F. tikoua. The results were as follows: (1) The NO production inhibition rate of T. jaminoides is stronger than that of F. tikoua. (2) Twenty-one differential chemical components were identified in the stems with leaves of T. jaminoides, most of which were lignans. Ten differential chemical components in the aerial parts of F. tikoua, most flavonoids, were identified. In summary, the differential chemical constituents may be the main active substances that cause the difference in anti-inflammatory activity between the two medicinal materials. This study provides a theoretical basis for the anti-inflammatory medicinal material basis and quality control of the medicinal parts in T. jaminoides and F. tikoua.

Alzheimer's Disease (AD) is an irreversible neurodegenerative disease, which urgently needs more effective treatment strategies. Arctium lappa L. leaf (burdock leaf) performs wide pharmacological activities, increasing evidence hinted that burdock leaves can ameliorate AD. This research aims to explore the bioactive ingredients and mechanisms of burdock leaves against AD by performing chemical profiles, network pharmacology, and molecular docking. 61 components are identified by liquid chromatography equipped with mass spectrometry. 792 targets of ingredients and 1661 AD‐related genes are retrieved from public databases. Ten critical ingredients are identified from the topology analysis of the compound‐target network. CytoNCA, AlzData database, and Aging Atlas database contribute to the foundation of 36 potential targets and four clinically significant targets (STAT3, RELA, MAPK8, and AR). The gene ontology (GO) analysis manifests that the included processes are close to the pathogenesis of AD. PI3K‐Akt signaling pathway and AGE‐RAGE signaling pathway may be important therapeutic mechanisms. Molecular docking results imply that network pharmacology results are reliable. Furthermore, the clinical meanings of core targets are also evaluated with the Gene Expression Omnibus (GEO) database. This research will provide research direction for the application of burdock leaves in the treatment of AD. [ABSTRACT FROM AUTHOR]

Objective: Paraquat (PQ) is a toxic compound that selectively accumulates in the lungs, inducing severe pulmonary inflammation and fibrosis. However, data on the metabolomic changes induced by the PQ remain scant. This study aimed to determine the metabolic changes in Sprague–Dawley rats subjected to PQ using UPLC-Q-TOF-MS/MS. Methods: We established groups of PQ-induced pulmonary injury rats for 14 or 28 days. Results: Our data showed that PQ decreased the survival of the rats and induced pulmonary inflammation at day 14 or pulmonary fibrosis at day 28. There was upregulation of IL-1β expression in the inflammation group as well as upregulation of fibronectin, collagen and α-SMA in the pulmonary fibrosis group. OPLS-DA revealed differential expression of 26 metabotites between the normal and the inflammation groups; 31 plasma metabotites were also differently expressed between the normal and the fibrosis groups. There was high expression of lysoPc160-, hydroxybutyrylcarnitine, stearic acid, and imidazolelactic acid in the pulmonary injury group compared to the normal group. Conclusion: Metabolomics analysis confirmed that the PQ-induced lung injury was not only related to the aggravation of inflammation and apoptosis but also to mediated histidine, serine, glycerophospholipid, and lipid metabolism. This study gives insights into the mechanisms of PQ-induced lung injury and highlights the potential therapeutic targets. The effect of PQ on lung injury in rats was detected by metabonomics, and the possible metabolic mechanism was investigated by KEGG analysis. OPLS-DA revealed the differential expression of 26 metabotites and 31 plasma metabotites between the normal and the pulmonary injury groups. Metabolomics analysis confirmed that the PQ-induced lung injury was not only related to the aggravation of inflammation and apoptosis but also to mediated histidine, serine, glycerophospholipid, and lipid metabolism. Oleoylethanolamine, stearic acid, and imidazolelactic acid are potential molecular markers in PQ-induced pulmonary injury. [ABSTRACT FROM AUTHOR]

The objective of our study was to analyze and identify enzymatic peptides from straw mushrooms that can enhance salty taste with the aim of developing saltiness enhancement peptides to reduce salt intake and promote dietary health. We isolated taste-related peptides from the straw mushroom extract using ultrafiltration and identified them using UPLC-Q-TOF-MS/MS. The study found that the ultrafiltration fraction (500–2000 Da) of straw mushroom peptides had a saltiness enhancement effect, as revealed via subsequent E-tongue and sensory analyses. The ultrafiltration fractions (500–2000 Da) were found to contain 220 peptides, which were identified through UPLC-Q-TOF-MS/MS analysis. The interaction of these peptides with the T1R1/T1R3 receptor was also assessed. The investigation highlighted the significant involvement of Asp223, Gln243, Leu232, Asp251, and Pro254 in binding peptides from triple-enzymatically hydrolyzed straw mushrooms to T1R1/T1R3. Based on the binding energy and active site analysis, three peptides were selected for synthesis: DFNALPFK (−9.2 kcal/mol), YNEDNGIVK (−8.8 kcal/mol), and VPGGQEIKDR (−8.9 kcal/mol). Importantly, 3.2 mmol of VPGGQEIKDR increased the saltiness level of a 0.05% NaCl solution to that of a 0.15% NaCl solution. Additionally, the addition of 0.8 mmol of YNEDNGIVK to a 0.05% NaCl solution resulted in the same level of saltiness as a 0.1% NaCl solution.

Objective: This study used the UPLC-Q-TOF-MS/MS technique, network pharmacology, and molecular docking technology to elucidate the molecular mechanism of action of Myricaria germanica against rheumatoid arthritis. Methods: The UPLC-Q-TOF MS/MS technique and Swiss Target Prediction databases were used to select active compounds for Myricaria germanica and to predict relevant targets, respectively. The targets of rheumatoid arthritis were obtained from the TTD and GeneCards databases. Constructing protein interaction networks utilizing the String database, GO functional enrichment analysis, and KEGG pathway enrichment analysis of target genes utilizing the DAVID database, constructing ''component-potential target-pathway'' networks utilizing Cytoscape 3.9.1 software, and finally performing molecular docking utilizing Autodock Vina and other software. Results: Myricaria germanica screened 47 chemical components and 302 component targets, obtaining 4017 disease targets, and 32 intersection targets of chemical component targets and disease targets using the Veen diagram. PPI results demonstrate the greatest impact on TNF, VEGFA, ALB, etc. The GO enrichment analysis of 32 targets associated with rheumatoid arthritis reveals that all of these targets are associated with 129 biological processes, including the process of collagen degeneration and the positive regulation of the RNA polymerase II promoter. KEGG enrichment analysis reveals that 87 signaling pathways are involved in these rheumatoid arthritis-related targets, with the IL-17, Relaxin, and TNF signaling pathways being the most significant. As deduced from the network diagram of ingredient-potential target-pathway, the key ingredients for the treatment of rheumatoid arthritis in Myricaria germanica are Apigenin, Quillaic Acid, and Isorhamnetin, and the associated targets are MMP9, PTGS2, and TNF, with a binding energy of less than -4.25 kcal/mol. Conclusion: Myricaria germanica may act on potential core targets such as TNF, PTGS2, and MMP9 through key active ingredients such as Apigenin, Quillaic Acid, and Isorhamnetin to regulate signaling pathways such as IL-17, TNF, and Relaxin to exert therapeutic effects on rheumatoid arthritis.

Biflavonoids are naturally occurring compounds consisting of two flavonoid moieties that have received substantial attention from researchers. Although many kinds of biflavonoids are typically distributed in Selaginella uncinata with hypoglycemic effect, their anti‐α‐glucosidase activities are not yet clear. In this study, a ligand fishing strategy for fast screening of α‐glucosidase inhibitors from S. uncinata was proposed. α‐Glucosidase was first immobilized on Fe3O4 magnetic nanoparticles (MNPs) and then the α‐glucosidase–functionalized MNPs were incubated with crude extracts of S. uncinata to fish out the ligands. Furthermore, considering the similarity and easy confusion of the structures of biflavonoids, the fragmentation patterns of different types of biflavonoids were studied. Based on this, 11 biflavonoids ligands with α‐glucosidase inhibitory activities were accurately and quickly identified from S. uncinata with ultra‐high‐performance liquid chromatography–quadrupole time‐of‐flight–tandem mass spectrometry. Furthermore, these ligands were confirmed to be potential inhibitors through the in vitro inhibitory assay and molecular docking. [ABSTRACT FROM AUTHOR]

Glycerol is a reliable solvent for extracting polyphenols from food and waste products. There has been an increase in the application of glycerol over benchmark alcoholic solvents such as ethanol and methanol for natural product generation because of its non-toxic nature and high extraction efficiency. However, plant extracts containing a high glycerol concentration are unsuitable for mass spectrometry-based investigation utilising electrospray ionization, inhibiting the ability to analyse compounds of interest. In this investigation, a solid phase extraction protocol is outlined for removing glycerol from plant extracts containing a high concentration of glycerol and their subsequent analysis of polyphenols using ultra-performance liquid chromatography coupled with quadrupole time of flight tandem mass spectrometry. Using this method, glycerol-based extracts of Queen Garnet Plum (Prunus salicina) were investigated and compared to ethanolic extracts. Anthocyanins and flavonoids in high abundance were found in both glycerol and ethanol extracts. The polyphenol metabolome of Queen Garnet Plum was 53% polyphenol glycoside derivatives and 47% polyphenols in their aglycone forms. Furthermore, 56% of the flavonoid derivates were found to be flavonoid glycosides, and 44% were flavonoid aglycones. In addition, two flavonoid glycosides not previously found in Queen Garnet Plum were putatively identified: Quercetin-3-O-xyloside and Quercetin-3-O-rhamnoside. [ABSTRACT FROM AUTHOR]

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Osteoporosis (OP) is a degenerative bone disease commonly associated with reduced bone density and increased fracture risk. This study aimed to validate the therapeutic effects of Simiao wan (SMW) on OP and explore the underlying mechanism, particularly focusing on the phosphatidylinositol 3-kinase (PI3K)/protein kinase B (AKT) signaling pathway. The chemical components of SMW were identified using UPLC-Q-TOF-MS/MS. The obtained compounds were then input into the TCMSP, TargetNet, and SwissTargetPrediction databases to predict potential targets. OP-related targets were collected from the GeneCards and DisGeNET databases, and intersecting targets were identified through a Venn diagram. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses were performed on the intersecting targets using the Database for Annotation, Visualization and Integrated Discovery (DAVID). SMW extract was subsequently used to treat osteoblasts in vitro , and its toxicity on osteoblasts was assessed using Cell Counting Kit-8 (CCK-8) and lactate dehydrogenase (LDH) release assays. Osteoblast differentiation and activity were further evaluated using alizarin red staining, alkaline phosphatase staining, and Western blot analyses to validate the activation of network pharmacological signaling pathways. A total of 121 potential targets were identified for SMW in the treatment of OP, with AKT1 as the primary target. The PI3K/AKT pathway emerged as a key signaling pathway potentially involved in SMW's therapeutic effects o OP. Toxicity assessments showed no significant toxicity of SMW on osteoblasts. Additionally, SMW promoted osteoblast proliferation, alkaline phosphatase activity, calcium nodule deposition, and the expression of osteogenic markers (osteocalcin (OCN), runt-related transcription factor 2 (RunX2), and collagen I), and activated the PI3K/AKT signaling pathway. The PI3K/AKT pathway inhibitor LY294002 partially reversed the SMW-induced mineral deposition and expression of OCN, RunX2, and collagen I. SMW demonstrated effective multi-target and multi-pathway therapeutic potential in the treatment of OP, with a significant impact on the PI3K/AKT signaling pathway. [Display omitted] • SMW may treat OP through multiple components, targets and pathways, as shown by network pharmacology analysis. • SMW shows no significant toxic effect on osteoblasts, supporting its safety in treatment. • SMW promotes osteoblast differentiation, calcium nodule formation, and osteogenic markers expression. • SMW activates the PI3K-AKT signaling pathway, potentially aiding in OP improvement. [ABSTRACT FROM AUTHOR]

Pseudobulbus Cremastrae seu Pleiones (PCSP) is a multi-source traditional Chinese medicine (TCM) with diverse chemical compositions and toxicity levels. The authenticity identification and safety evaluation of PCSP have attracted widespread attention in clinical applications. The objective of this study was to evaluate the authenticity and safety of commercially available PCSP. Morphological and microscopic identification, HPLC chromatogram, UPLC-Q-TOF-MS/MS with molecular networking were applied to the authenticity identification of PCSP. The safety of different PCSPs was evaluated by acute toxicity in zebrafish at maximum non-lethal concentration (MNLC) and 10% lethal concentration (LC 10). Intestinal toxicity of PCSP was assessed through histological staining, intestinal goblet cells, neutrophils, and intestinal opacity. Four sources of PCSP varied in size, epidermal longitudinal grooves, and microscopic features. GNPS analysis identified 61, 47, 44, and 56 chemical compounds in Cremastra appendiculate (CA), Oreorchis patens (Lindl.) Lindl. (OPL), Iphigenia indica A. Gray (IIG), and Tulipa edulis (Miq.) Baker (TEB). Colchicine and militarine, were discovered as distinguishing markers. Acute toxicity in zebrafish ranked as follows: IIG > OPL > CA > TEB. Further studies on the intestinal toxicity of the authentic PCSP (CA, OPL) showed that CA induced less damage with a smaller lumen area, fewer neutrophils and goblet cells, and reduced peristalsis inhibition compared to OPL, indicating greater safety. Four different sources of PCSP were accurately distinguished based on three dimensions: character, components, and toxicity. OPL and CA were considered as genuine products, while CA with lower toxicity was more suitable for clinical applications. [Display omitted] • A Total of 127 compounds in PCSP were identified by UPLC-QTOF-MS/MS. • GNPS was employed to distinguish four different origins of PCSP. • A HPLC method for authenticity identification of PCSP was developed. • The safety of PCSP was evaluated by zebrafish acute toxicity assay. • The exploration of the intestinal toxicity of CA and OPL was conducted. [ABSTRACT FROM AUTHOR]