Phytochemical Analysis最新文献

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Visualizing the Spatial Distribution of Metabolites in Angelica sinensis Roots by Matrix-Assisted Laser Desorption/Ionization Mass Spectrometry Imaging. 用基质辅助激光解吸/电离质谱成像技术观察当归根代谢产物的空间分布。
IF 3 3区 生物学
Phytochemical Analysis Pub Date : 2025-06-01 Epub Date: 2025-01-14 DOI: 10.1002/pca.3507
Xiaofei Yue, Li Feng, Chenglong Sun, Lu Wang
{"title":"Visualizing the Spatial Distribution of Metabolites in Angelica sinensis Roots by Matrix-Assisted Laser Desorption/Ionization Mass Spectrometry Imaging.","authors":"Xiaofei Yue, Li Feng, Chenglong Sun, Lu Wang","doi":"10.1002/pca.3507","DOIUrl":"10.1002/pca.3507","url":null,"abstract":"<p><strong>Introduction: </strong>Angelica sinensis is one of the most popular traditional Chinese medicines (TCM) and has been extensively used to treat various diseases. Hundreds of endogenous ingredients have been isolated and identified from this herb, but their spatial distribution within the plant root is largely unknown.</p><p><strong>Objectives: </strong>In this study, we tried to investigate and map within-tissue spatial distribution of metabolites in Angelica sinensis roots.</p><p><strong>Material and methods: </strong>After optimization of experiment conditions, the 1,5-diaminonaphthalene (1,5-DAN) was chosen as the matrix and was sprayed on the surface of root sections. Then matrix-assisted laser desorption/ionization mass spectrometry imaging (MALDI-MSI) was employed to perform in situ detection and obtain detail spatial distribution information of metabolites in Angelica sinensis roots.</p><p><strong>Results: </strong>The spatial distributions of a wide range of metabolites including organic acids, amino acids, oligosaccharides, and phospholipids were characterized and visualized in Angelica sinensis roots. Majority of these metabolites were located in the phloem and xylem, while ferulic acid was mainly present in the cork layer. The results revealed a dramatic metabolic heterogeneity among different regions of the roots and distinct spatial distribution patterns of different metabolites. Additionally, the metabolic pathways involved in the biosynthesis of choline were also successfully localized and visualized.</p><p><strong>Conclusion: </strong>This study comprehensively characterized the spatial distribution of metabolites in Angelica sinensis roots, which would prompt the understanding of its chemical separation, biosynthesis, and pharmacological activities.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"1245-1251"},"PeriodicalIF":3.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142984469","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Study on Quality Evaluation of Tibetan Dracocephali tangutici Herba Based on DNA Barcode and HPLC Fingerprinting. 基于DNA条形码和高效液相色谱指纹图谱的藏龙头药材质量评价研究。
IF 3 3区 生物学
Phytochemical Analysis Pub Date : 2025-06-01 Epub Date: 2025-01-21 DOI: 10.1002/pca.3503
Dawa Zhuoma, Duan Tingyin, Lan Jun, Qun Pei, Cidan Duoji, Du Feng, Deng Fang, Zhou Yan
{"title":"Study on Quality Evaluation of Tibetan Dracocephali tangutici Herba Based on DNA Barcode and HPLC Fingerprinting.","authors":"Dawa Zhuoma, Duan Tingyin, Lan Jun, Qun Pei, Cidan Duoji, Du Feng, Deng Fang, Zhou Yan","doi":"10.1002/pca.3503","DOIUrl":"10.1002/pca.3503","url":null,"abstract":"<p><strong>Objectives: </strong>The quality of 30 batches of the Tibetan Dracocephali tangutici Herba was evaluated using HPLC fingerprinting and DNA sequences.</p><p><strong>Methods: </strong>Botanical identification of 30 batches of D. tangutici herba was conducted using the DNA barcoding approach, specifically analyzing the ITS and rbcL sequences. HPLC fingerprints of Tibetan Dracocephali tangutici Herba were established. The quality of 30 batches of D. tangutici herba was comprehensively evaluated using principal component analysis (PCA), orthogonal partial least squares discriminant analysis (OPLS-DA), and entropy weighting method (EWM) combined with grey relation analysis (GRA).</p><p><strong>Results: </strong>The botanical provenance of all 30 batches of herbs was proven to be Dracocephali tangutici Maxim. using DNA barcoding techniques, namely, ITS sequence and rbcL sequence testing. A total of 17 common peaks were chosen from the HPLC fingerprinting analysis. Among these, three peaks were recognized by comparing them with three reference standards: chlorogenic acid, cryptochlorogenic acid, and salvianolic acid B. The similarity scores of the 30 batches of D. tangutici herba varied between 0.846 and 0.991. The 30 batches of samples were categorized into two groups using PCA. The findings from OPLS-DA indicated that chlorogenic acid and four flavonoids could be the crucial components for evaluating the quality of D. tangutici herba. Additionally, the combined evaluation results of EWM and GRA suggested that the quality of the 30 batches of samples varied significantly.</p><p><strong>Conclusion: </strong>The results of this study can provide a reference basis for the development of quality standards for D. tangutici herba in Tibet.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"1202-1211"},"PeriodicalIF":3.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143009864","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Biochemometrics-Based Identification of Gallic Acid and Gallic Acid Galloylglucosides From Kalanchoe fedtschenkoi With Cytotoxic Effects on Cultured Melanoma Cells. 基于生物化学计量学鉴定对培养黑色素瘤细胞具有细胞毒性作用的Kalanchoe fedtschenkoi中的没食子酸和没食子酸五倍子酰葡萄糖苷。
IF 3 3区 生物学
Phytochemical Analysis Pub Date : 2025-06-01 Epub Date: 2024-11-25 DOI: 10.1002/pca.3480
Livia Marques Casanova, José Xavier do Nascimento Júnior, Jacqueline Elis de Souza, Raul do Couto Rodrigues, Amanda Bandeira Araújo, Emmanuel Arrais, Luiz Claudio de Oliveira Silva, Yasmim M Bessa Menezes, Raíssa Mara Kao Yien, Luzineide Wanderley Tinoco, Sônia Soares Costa, Mauro Sola-Penna, Patrícia Zancan
{"title":"Biochemometrics-Based Identification of Gallic Acid and Gallic Acid Galloylglucosides From Kalanchoe fedtschenkoi With Cytotoxic Effects on Cultured Melanoma Cells.","authors":"Livia Marques Casanova, José Xavier do Nascimento Júnior, Jacqueline Elis de Souza, Raul do Couto Rodrigues, Amanda Bandeira Araújo, Emmanuel Arrais, Luiz Claudio de Oliveira Silva, Yasmim M Bessa Menezes, Raíssa Mara Kao Yien, Luzineide Wanderley Tinoco, Sônia Soares Costa, Mauro Sola-Penna, Patrícia Zancan","doi":"10.1002/pca.3480","DOIUrl":"10.1002/pca.3480","url":null,"abstract":"<p><strong>Introduction: </strong>Kalanchoe Adans. (Crassulaceae) is a genus of widespread succulent plants extensively studied for their biological activities. Plants of the genus are considered a potential source of antitumor agents.</p><p><strong>Objective: </strong>This study aimed to investigate the effect of an aqueous extract and fractions of leaves of Kalanchoe fedtschenkoi R. Hamet & H. Perrier on the proliferation of melanoma cell lines employing an NMR-based biochemometric approach complemented with HPLC-DAD and UHPLC-MS/MS analyses.</p><p><strong>Material and methods: </strong>The n-butanol fraction (KFBuOH) from K. fedtschenkoi aqueous leaf extract, which decreased B16F10 murine melanoma cells viability by 65% at 100 μg/mL, was fractionated with RP-18 SPE and Sephadex LH-20 column chromatography. The fractions were analyzed by <sup>1</sup>H-NMR spectroscopy and submitted to MTT cytotoxicity assays against cultured melanoma cells. Orthogonal projection to latent structures discriminant analysis (OPLS-DA) was used to correlate their <sup>1</sup>H-NMR profile and cytotoxic activity.</p><p><strong>Results: </strong>This strategy enabled the identification of gallic acid (1) and two gallic acid glucosides-gallic acid 4-O-(6'-O-galloyl)-glucopyranoside) (2) and gallic acid 3-O-(6'-O-galloyl)-glucopyranoside) (3)-as putative bioactive substances, which was further corroborated by subsequent assays with enriched fractions and a gallic acid standard. The fractions enriched in gallic acid (KFA) and gallic acid galloylglucosides (KFB) evidenced selective cytotoxicity towards B16F10 cells (IC<sub>50</sub> 43.0 and 56.6 μg/mL, respectively) and MV3 human melanoma cells (IC<sub>50</sub> 93.6 and 66.1 μg/mL, respectively).</p><p><strong>Conclusion: </strong>These results suggest a potential therapeutic use for K. fedtschenkoi in melanoma treatment. This is the first study to evidence a potential antitumor activity for gallic acid galloylglucosides.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"957-972"},"PeriodicalIF":3.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142716846","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Spatial Distribution and Comparative Analysis of Differential Metabolites in Curcuma longa L. Roots and Rhizomes Using UHPLC-Q-Orbitrap HRMS Combined With DESI-MSI. UHPLC-Q-Orbitrap结合DESI-MSI对姜黄根和根茎差异代谢物的空间分布及比较分析
IF 3 3区 生物学
Phytochemical Analysis Pub Date : 2025-06-01 Epub Date: 2024-12-26 DOI: 10.1002/pca.3493
Jin Wang, Ying Zhu, Chuyue Wu, Qinwan Huang
{"title":"Spatial Distribution and Comparative Analysis of Differential Metabolites in Curcuma longa L. Roots and Rhizomes Using UHPLC-Q-Orbitrap HRMS Combined With DESI-MSI.","authors":"Jin Wang, Ying Zhu, Chuyue Wu, Qinwan Huang","doi":"10.1002/pca.3493","DOIUrl":"10.1002/pca.3493","url":null,"abstract":"<p><strong>Introduction: </strong>The roots and rhizomes of Curcuma longa L. serve as distinct traditional Chinese medicines with varying therapeutic effects, likely attributed to differences in the accumulation and distribution of metabolites in these parts.</p><p><strong>Objective: </strong>The study aims to investigate the differences and spatial distribution patterns of metabolites in C. longa L. roots and rhizomes.</p><p><strong>Methods: </strong>Metabolite analysis of roots and rhizomes was conducted using ultra-high-performance liquid chromatography-quadruple orbitrap high-resolution mass spectrometry (UHPLC-Q-Orbitrap HRMS) combined with desorption electrospray ionization mass spectrometry imaging (DESI-MSI). Using principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA) to screen for differential metabolites. The relative contents of differential metabolites were visualized using heat maps. Additionally, the spatial distribution of differential metabolites was analyzed based on DESI-MSI.</p><p><strong>Results: </strong>A total of 49 main chemical components were identified in roots and rhizomes using UHPLC-Q-Orbitrap HRMS. Through nontargeted metabolomics analysis combining UHPLC-Q-Orbitrap HRMS with PCA and OPLS-DA, 24 differential markers were identified; Additionally, using DESI-MSI alongside PCA and OPLS-DA, 18 differential markers were selected. Based on the DESI-MSI results, curcuminoids and sesquiterpenoids, including bisdemethoxycurcumin, demethoxycurcumin, furanodienone, furanogermenone, furanodiene, β-elemene, and curzerene, were more abundant in the rhizomes compared to the roots. And these differential compounds exhibited spatial distribution differences in the epidermis, phloem, and xylem between the roots and rhizomes.</p><p><strong>Conclusion: </strong>The metabolomics analysis using UHPLC-Q-Orbitrap HRMS combined with DESI-MSI suggest differences in the accumulation and spatial distribution of metabolites in C. longa L. roots and rhizomes, possibly related to the biosynthesis of secondary metabolites.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"1079-1093"},"PeriodicalIF":3.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142896265","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Analyzing How Zhizi Baipi Decoction Regulates VEGF to Suppress RA Angiogenesis Using Network Pharmacology and Experimental Validation. 栀子白皮汤调节VEGF抑制RA血管生成的网络药理学及实验验证
IF 3 3区 生物学
Phytochemical Analysis Pub Date : 2025-06-01 Epub Date: 2025-01-14 DOI: 10.1002/pca.3508
Jing Xu, Yulong Zhu, Yi Wei, Peirong Gan, Shilin Xia, Ya Li, Xiaoman Jiang, Yan Wang, Hong Wu
{"title":"Analyzing How Zhizi Baipi Decoction Regulates VEGF to Suppress RA Angiogenesis Using Network Pharmacology and Experimental Validation.","authors":"Jing Xu, Yulong Zhu, Yi Wei, Peirong Gan, Shilin Xia, Ya Li, Xiaoman Jiang, Yan Wang, Hong Wu","doi":"10.1002/pca.3508","DOIUrl":"10.1002/pca.3508","url":null,"abstract":"<p><strong>Introduction: </strong>Rheumatoid arthritis (RA) is a chronic autoimmune disease that primarily manifests with symptoms such as heat and toxin. However, the key components and molecular mechanisms of Zhizi Baipi decoction (ZBD) in the treatment of RA are still unclear.</p><p><strong>Objectives: </strong>The study aimed to explore the mechanism of action of ZBD for treating RA through ingredient analysis, network pharmacology, and experimental validation.</p><p><strong>Material and methods: </strong>The chemical constituents of ZBD were identified by ultra-high performance liquid chromatography coupled with Q-TOF-mass spectrometry (UPLC-Q-TOF-MS<sup>E</sup>). Additionally, the active ingredients of ZBD treating RA were screened by network pharmacology and using molecular docking to verify the binding energy of the active ingredients and ZBD's targets. Then we elucidated ZBD's mechanism of action on collagen-induced arthritis (CIA) model rats. Subsequently, experimental validations were used to validate the findings of network pharmacology.</p><p><strong>Results: </strong>A total of 84 chemical constituents was identified by UPLC-Q-TOF-MS<sup>E</sup>. The results of network pharmacology indicated that ZBD could exert its therapeutic effect on RA through the vascular endothelial growth factor (VEGF) pathway. Molecular docking revealed a strong binding capacity between the target KDR and the active ingredients. Additionally, we quantified the five active ingredients of ZBD. In vivo experiments demonstrated that ZBD inhibited synovial angiogenesis and alleviated the occurrence and progression of RA.</p><p><strong>Conclusion: </strong>Overall, ZBD has a significant therapeutic effect on RA. The results of qualitative analysis, network pharmacology, molecular docking, and in vivo experiments indicated that the main active components of ZBD could modulate the VEGF pathway to treat RA.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"1252-1267"},"PeriodicalIF":3.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142984517","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Qualitative and Comparative Study of APORT Apple Peel Based on UPLC-Q-TOF-MS Technology and Fruit Peel Comparison of Different Provenances. 基于UPLC-Q-TOF-MS技术的APORT苹果皮定性比较及不同种源果皮比较研究
IF 3 3区 生物学
Phytochemical Analysis Pub Date : 2025-06-01 Epub Date: 2025-01-26 DOI: 10.1002/pca.3504
Xinyue Dong, Ge Bai, Alzhan Amantay, Xiaoyu Zhang, Haiqi Zhao, Xiaofeng Ma, Zhongbo Liu
{"title":"Qualitative and Comparative Study of APORT Apple Peel Based on UPLC-Q-TOF-MS Technology and Fruit Peel Comparison of Different Provenances.","authors":"Xinyue Dong, Ge Bai, Alzhan Amantay, Xiaoyu Zhang, Haiqi Zhao, Xiaofeng Ma, Zhongbo Liu","doi":"10.1002/pca.3504","DOIUrl":"10.1002/pca.3504","url":null,"abstract":"<p><strong>Objective: </strong>This study aimed to qualitatively study the main chemical components of apple peel in APORT, Kazakhstan, by ultra-performance liquid chromatography-quadrupole-time-of-flight mass spectrometry (UPLC-Q-TOF-MS/MS) and to compare the components of apple peels with different provenances.</p><p><strong>Methods: </strong>An ACQUITY UPLC HSS T3 (100 mm × 2.1 mm, 1.8 μm) column was used with 0.1% formic acid water (A)-acetonitrile (B) as the mobile phase and gradient elution at a flow rate of 0.2 mL/min and a column temperature of 40°C. Mass spectrometry analysis was performed using the ESI positive and negative ion modes to acquire the data.</p><p><strong>Results: </strong>With the Mass Lynx 4.2 workstation, online database, retention time of chromatographic peaks of each compound, and secondary fragmentation law, 14 compounds were identified from APORT apple peel extraction samples for the first time, and the main component categories included flavonols, organic acids, dihydrochalcones, terpenes, flavanols, etc., and caffeic acid, crataegolic acid, quinine acid, and quercitrin were found to be unique in APORT apple peel.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"1212-1222"},"PeriodicalIF":3.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143047553","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Isomer Differentiation by UHPLC-Q-Exactive-Orbitrap MS led to Enhanced Identification of Daphnane Diterpenoids in Daphne tangutica. 采用uhplc - q - extive - orbitrap MS进行异构体分化,提高了丹古拉中达芙妮二萜类化合物的鉴定水平。
IF 3 3区 生物学
Phytochemical Analysis Pub Date : 2025-06-01 Epub Date: 2024-12-19 DOI: 10.1002/pca.3491
Kouharu Otsuki, Mi Zhang, Lingjian Tan, Masayoshi Komaki, Akane Shimada, Takashi Kikuchi, Di Zhou, Ning Li, Wei Li
{"title":"Isomer Differentiation by UHPLC-Q-Exactive-Orbitrap MS led to Enhanced Identification of Daphnane Diterpenoids in Daphne tangutica.","authors":"Kouharu Otsuki, Mi Zhang, Lingjian Tan, Masayoshi Komaki, Akane Shimada, Takashi Kikuchi, Di Zhou, Ning Li, Wei Li","doi":"10.1002/pca.3491","DOIUrl":"10.1002/pca.3491","url":null,"abstract":"<p><strong>Introduction: </strong>Liquid chromatography-mass spectrometry (LC-MS) has enhanced the rapid, accurate analysis of complex plant extracts, eliminating the need for extensive isolation. Tandem mass spectrometry (MS/MS) further enhances this process by providing detailed structural information. However, differentiating structural isomers remains a challenge due to their minor spectral and structural differences.</p><p><strong>Objective: </strong>This study aimed to extend the applicability of LC-MS/MS for the structural identification of daphnane diterpenoids, with a particular focus on distinguishing functional isomers.</p><p><strong>Methods: </strong>LC-MS analyses were performed using an UHPLC-Q-Exactive-Orbitrap MS. The MS conditions for distinguishing isomers were optimized using in-source CID and HCD modes with reference compounds. A qualitative analysis was then conducted on the extract of Daphne tangutica. The chemical structures of the detected daphnane diterpenoids were estimated by analyzing the fragmentation patterns in both the mass spectra and product ion spectra. These identifications were further validated by isolation and comparison with an in-house daphnane diterpenoid library.</p><p><strong>Results: </strong>By optimizing MS conditions, especially in the negative ion mode, it was possible to accurately distinguish structural isomers such as yuanhuajine and gniditrin. Qualitative analysis of D. tangutica identified a total of 28 daphnanes, including seven previously unreported compounds. Furthermore, a novel geometric isomer of gniditrin was isolated by conducting isolation on the crude diterpenoid fraction.</p><p><strong>Conclusion: </strong>This study demonstrated that LC-MS/MS analysis can effectively distinguish functional isomers of daphnane diterpenoids, thereby enhancing the identification of daphnanes in plant extracts and highlighting its potential as a powerful tool for phytochemical analysis.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"1053-1062"},"PeriodicalIF":3.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142855059","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Fast and Efficient Screening and Separation Based on AUF-MS Combined With Molecular Docking Technology and Network Pharmacology Method for Potential Xanthine Oxidase Inhibitors From Pinelliae Rhizoma Praeparatum. 基于AUF-MS结合分子对接技术和网络药理学方法的半夏黄嘌呤氧化酶潜在抑制剂的快速高效筛选分离
IF 3 3区 生物学
Phytochemical Analysis Pub Date : 2025-06-01 Epub Date: 2024-12-30 DOI: 10.1002/pca.3485
Qiang Liu, Yuyu Nong, Sainan Li, Yang Zhou, Xuanlin Liu, Duo Liu, Yanjie Li
{"title":"Fast and Efficient Screening and Separation Based on AUF-MS Combined With Molecular Docking Technology and Network Pharmacology Method for Potential Xanthine Oxidase Inhibitors From Pinelliae Rhizoma Praeparatum.","authors":"Qiang Liu, Yuyu Nong, Sainan Li, Yang Zhou, Xuanlin Liu, Duo Liu, Yanjie Li","doi":"10.1002/pca.3485","DOIUrl":"10.1002/pca.3485","url":null,"abstract":"<p><strong>Introduction: </strong>Studies show that Pinelliae Rhizoma Praeparatum (PRP) has some pharmacological effects in enhancing immunity and against gout.</p><p><strong>Objectives: </strong>A mathematical model was created for extraction process optimization, analysis and identification, activity screening, and isolation and purification; moreover, the mechanism of action was studied.</p><p><strong>Methods: </strong>First, the extraction of PRP was investigated using the gray wolf optimization mathematical regression model; the extraction variables were optimized to maximize the yield. Second, we used network pharmacological analysis to predict potential targets for PRP in treating gout; xanthine oxidase inhibitors (XODIs) were rapidly screened using AUF-MS and enzyme-catalyzed reaction kinetics. The potential antigout effects of the obtained active substances were verified using molecular docking and molecular dynamics simulation analysis. Finally, with activity screening as the guide, an HSCCC method combined with consecutive injection using the UNIFAC mathematical model and semipreparative HSCCC was successfully developed for the separation and purification of XODIs.</p><p><strong>Results: </strong>The results verified that uridine, guanosine, adenosine, liquiritin, and liquiritigenin of PRP exhibited high biological affinity toward XOD.</p><p><strong>Conclusion: </strong>This study clarifies the mechanisms of action of a medicinal plant of interest at the molecular level and can provide more opportunities for the discovery and development of new therapeutic drugs from other food resources.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"985-1001"},"PeriodicalIF":3.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142910160","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Ecdysteroids in Native Trees and Callus Cultures of the Genus Vitex L. of the Flora of Russia and Vietnam. 俄罗斯和越南植物区系牡荆属原生树木和愈伤组织培养中的表皮甾体。
IF 3 3区 生物学
Phytochemical Analysis Pub Date : 2025-06-01 Epub Date: 2025-01-29 DOI: 10.1002/pca.3511
V V Volodin, S O Volodina, E V Nekrasova, Vu Thi Loan, E B Serebryakov, D A Frolova, K G Ufimtsev
{"title":"Ecdysteroids in Native Trees and Callus Cultures of the Genus Vitex L. of the Flora of Russia and Vietnam.","authors":"V V Volodin, S O Volodina, E V Nekrasova, Vu Thi Loan, E B Serebryakov, D A Frolova, K G Ufimtsev","doi":"10.1002/pca.3511","DOIUrl":"10.1002/pca.3511","url":null,"abstract":"<p><strong>Introduction: </strong>Vitex L. is a large genus of tropical and subtropical trees used in medicine of many nations. Some species are used in gynecology due to flavonoids, iridoids, and diterpenes. Other species were shown to contain ecdysteroids and are used as tonic remedies.</p><p><strong>Objective: </strong>This study aimed to investigate content and patterns of distribution of ecdysteroids in native trees and their accumulation in in vitro cell cultures as potential biotechnological agents of Vitex species growing in remote flora of Russia and Vietnam.</p><p><strong>Methodology: </strong>Targeted UPLC-MS/MS was used for the quantitation of the ecdysteroids in samples of plants and callus cultures of Vitex species. Determination of nucleotide sequences was carried out on ABI PRISM 3730xl sequencer. Phylogenetic tree was constructed using Mega v.7.0.</p><p><strong>Results: </strong>Samples of Vitex agnus-castus L. from Russian Black Sea coast of the Caucasus, as well as samples of nine species of Vitex from Vietnam were collected for ecdysteroids quantification. Relationships between the content of ecdysteroids and the systematic position of the Vitex species were shown.</p><p><strong>Conclusions: </strong>Higher levels of ecdysteroids were revealed in different plant parts of Vitex canescens Kurz, Vitex pinnata L., Vitex quinata (Lour.) F.N.Williams, and Vitex tripinnata (Lour.) Merr. It has been established that species rich in ecdysteroids, as well as those containing trace amount of ecdysteroids (V. agnus-castus L., Vitex negundo L., and Vitex rotundifolia L.f.) are grouped in certain clades isolated from each other on the molecular phylogenetic tree of the genus. The most promising raw materials are the young leaves of V. tripinnata (8562 μg/g of dry biomass), as well as the bark of V. canescens (16,520 μg/g) and V. quinata (19,130 μg/g). The bark of V. canescens could be a good source of turkesterone (11α-oxyecdysteroid) that has pronounced pharmacological effects. Its content reaches up to 1400 μg/g in the bark. Discovering ability of callus cultures for synthesis of ecdysteroids allows us to outline experimental ways to increase the level of ecdysteroid biosynthesis in biotechnological systems as alternative source of ecdysteroids.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"1278-1295"},"PeriodicalIF":3.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143060009","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Paper-Based Device for Phenolic Content Determination in Tea Extracts. 纸基茶叶提取物酚含量测定装置。
IF 3 3区 生物学
Phytochemical Analysis Pub Date : 2025-06-01 Epub Date: 2024-12-26 DOI: 10.1002/pca.3494
Rachma Athaya Silver, Eka Noviana, Muhammad Al-Fatih Ash Shiddiq, Nur Kumala Wardani, Anjar Windarsih, Fauzian Sekar Indrasyah, Nanang Fakhrudin, Anastasia Wheni Indrianingsih, Charles S Henry
{"title":"Paper-Based Device for Phenolic Content Determination in Tea Extracts.","authors":"Rachma Athaya Silver, Eka Noviana, Muhammad Al-Fatih Ash Shiddiq, Nur Kumala Wardani, Anjar Windarsih, Fauzian Sekar Indrasyah, Nanang Fakhrudin, Anastasia Wheni Indrianingsih, Charles S Henry","doi":"10.1002/pca.3494","DOIUrl":"10.1002/pca.3494","url":null,"abstract":"<p><strong>Introduction: </strong>Phenolic compounds garner interest in developing medicines, nutraceuticals, and cosmeceuticals based on natural products. The quantity of phenolic compounds in a sample is commonly determined via spectrophotometry; however, this instrumented technique is relatively laborious and time consuming and requires a large amount of reagents.</p><p><strong>Objective: </strong>This work aimed to develop a simple, point-of-need colorimetric sensor to rapidly determine total phenolic content (TPC) in tea extracts.</p><p><strong>Methodology: </strong>We developed a radial paper-based analytical device (PAD) for TPC determination based on the established colorimetric reaction between the Folin-Ciocâlteu reagent and phenols. The PAD was designed to enable quantitative (with image capturing device and color processing software) and semiquantitative (using a color palette reference card) determinations. Analytical performance and stability of the PAD were evaluated based on the color responses.</p><p><strong>Results: </strong>The PAD was successfully applied for the determination of phenolics in tea extracts obtained using several polar protic solvents, including water, methanol, and ethanol, with satisfactory accuracy (recovery of 95.5%-104%, 110%-116%, and 104%-110%, respectively) and precision (RSD < 9%). The obtained TPC values also agreed with those from visible spectrophotometry. Semiquantitative determination using the color reference card with three categories of TPC level (i.e., 0-100, 100-500, and 500-1000 mg gallic acid equivalent/L) provided > 95% accuracy. The devices were the most stable when stored at 4°C in a light-protected, vacuum-sealed container. The proposed PAD is promising for simple, rapid (~10-20 min), and accurate estimation of TPC in plant extracts.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"1094-1104"},"PeriodicalIF":3.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142895726","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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