Biomedical Chromatography最新文献_第9页

Identification of the Pharmacological Components and Its Targets of Sanghuang by Integration of Nontarget Metabolomics and Network Pharmacology Analysis 结合非靶点代谢组学和网络药理学分析鉴定桑黄药理成分及其靶点。

IF 1.8 4区医学

Biomedical Chromatography Pub Date : 2025-01-02 DOI: 10.1002/bmc.6066

Hengqian Lu, Jintao Zhang, Yongzhong Wang

{"title":"Identification of the Pharmacological Components and Its Targets of Sanghuang by Integration of Nontarget Metabolomics and Network Pharmacology Analysis","authors":"Hengqian Lu, Jintao Zhang, Yongzhong Wang","doi":"10.1002/bmc.6066","DOIUrl":"10.1002/bmc.6066","url":null,"abstract":"<div>\u0000 \u0000 <p>The objective of this study is to comprehensively to identify the core pharmacological components and their respective targets of three medicinal fungi Sanghuangs including <i>Sanghuangporus vaninii</i> (SV), <i>Sanghuangporus lonicericola</i> (SL), and <i>Inonotus hispidus</i> (IH). Metabolomics analysis indicated that a total of 495 and 660 differential metabolites were obtained in mycelium and fermentation broth samples among three Sanghuangs, respectively. The network pharmacology analysis showed that 6-[1]-ladderane hexanol, R-nostrenol, candidone, ellagic acid, and quercetin were the overlapping active ingredients of three Sanghuang species for diabetes mellitus, immune system disease, and neoplasm. Certonardosterol A, dalamid, and ethylene brassylate are unique active ingredients in SV, and certonardosterol K, kaempferide, and esculetin are unique active ingredients in SL. Asbestinine, neoandrographolide, isosakuranetin, and daucosterin are unique active ingredients in IH. Accordingly, the common core targets of active ingredients of the three Sanghuangs were ESR1, PIK3CA, and LYN. PRKCA, EGFR, and STAT3 were the unique targets of SV, SL, and IH, respectively. The primary active components and their respective targets, in addition to the component–target interaction of Sanghuangs that have been identified in the present study, provide a foundation for future research on the prevention and treatment of disease using Sanghuangs.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 2","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142920552","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Liquid Chromatography Combined With Tandem Mass Spectrometry for the Pharmacokinetic and Metabolism Studies of PROTAC ARV-471 in Rats 液相色谱结合串联质谱法研究PROTAC ARV-471在大鼠体内的药动学和代谢。

IF 1.8 4区医学

Biomedical Chromatography Pub Date : 2025-01-02 DOI: 10.1002/bmc.6068

Wenbin Huang, Hongjian Zhang, Yayun Zhou, Xuechao Liu, Qilei Zhang, Xiaopeng Ma

{"title":"Liquid Chromatography Combined With Tandem Mass Spectrometry for the Pharmacokinetic and Metabolism Studies of PROTAC ARV-471 in Rats","authors":"Wenbin Huang, Hongjian Zhang, Yayun Zhou, Xuechao Liu, Qilei Zhang, Xiaopeng Ma","doi":"10.1002/bmc.6068","DOIUrl":"10.1002/bmc.6068","url":null,"abstract":"<div>\u0000 \u0000 <p>Proteolysis targeting chimera (PROTAC) is emerging as a promising medicinal modality, which has aroused widespread interest among the field of pharmaceutical manufacturing in the recent years. ARV-471 is an orally active PROTAC estrogen receptor degrader against breast cancer, which leads to the ubiquitylation and subsequent degradation of estrogen receptors via the proteasome. In this study, we developed a highly sensitive liquid chromatography tandem mass spectrometry method (LLOQ = 0.5 ng/mL) for the measurement of ARV-471 in rat plasma. The acetonitrile precipitated sample was separated on ACQUITY BEH C<sub>18</sub> column using acetonitrile-0.1% formic acid as mobile phased with gradient elution. Multiple reactions monitoring in positive ESI mode was employed for the quantification of ARV-471 (<i>m/z</i> 724.4 → 396.2). The assay showed good linearity over the concentration range of 0.5–1000 ng/mL with correlation coefficient > 0.996. The assay was validated according to FDA guidance, and all the validation parameters were within the predefined acceptance criteria. After validation, the assay was applied to the pharmacokinetic study of ARV-471 in rats. Additionally, the metabolites in rat plasma were identified using liquid chromatography–high resolution mass spectrometry. Four metabolites were identified and characterized. Hydrolysis, glucuronidation and deamination were the main metabolic pathways of ARV-471 in rats.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 2","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142920560","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Recent Advances in Enantiorecognition and Enantioseparation Techniques of Chiral Molecules in the Pharmaceutical Field 医药领域手性分子对映体识别和对映体分离技术研究进展。

IF 1.8 4区医学

Biomedical Chromatography Pub Date : 2025-01-02 DOI: 10.1002/bmc.6073

Kuladip Barman, Md Mustahidul Islam, Km Supriya Das, Neha Singh, Sakshi Priya, Balak Das Kurmi, Preeti Patel

{"title":"Recent Advances in Enantiorecognition and Enantioseparation Techniques of Chiral Molecules in the Pharmaceutical Field","authors":"Kuladip Barman, Md Mustahidul Islam, Km Supriya Das, Neha Singh, Sakshi Priya, Balak Das Kurmi, Preeti Patel","doi":"10.1002/bmc.6073","DOIUrl":"10.1002/bmc.6073","url":null,"abstract":"<div>\u0000 \u0000 <p>Enantioseparation and enantiorecognition are crucial in the pharmaceutical analysis of chiral substances, impacting safety, efficacy, and regulatory compliance. Enantioseparation refers to the process of separating enantiomers from a mixture, typically achieved through chromatography techniques like HPLC and SFC. In contrast, enantiorecognition involves the identification of enantiomers based on their interaction with a chiral selector without the need for separation. Recent advancements in these techniques have significantly improved enantioseparation efficiency and resolution. Chiral stationary phases (CSPs) have evolved, offering better selectivity, including hybrid organic–inorganic materials and miniaturization. The use of green solvents has also reduced environmental impact. Non-chromatographic methods, such as circular dichroism (CD) and nuclear magnetic resonance (NMR) spectroscopy, enable enantiorecognition through interactions with polarized light or chiral solvents. However, these methods face challenges, including high costs, limited solvent compatibility, and shorter operational lifespans compared with chromatographic techniques. Recent developments in solvent-tolerant hybrid CSPs aim to address these limitations. This review highlights these innovations, focusing on their relevance to the pharmaceutical industry, pollution control, and quality assurance, and emphasizes the growing importance of these techniques in the production and regulation of chiral drugs.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 2","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142920579","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Pharmacokinetic Study of Ginkgolide B in Dog After Intravenous Administration 静脉给药后银杏内酯B在犬体内的药动学研究。

IF 1.8 4区医学

Biomedical Chromatography Pub Date : 2025-01-02 DOI: 10.1002/bmc.6070

Li Li, Dan Yu, Wen-Fei Sun, Qi-Zhong Jin, Xing-Jie Chang, Qian Shi

{"title":"Pharmacokinetic Study of Ginkgolide B in Dog After Intravenous Administration","authors":"Li Li, Dan Yu, Wen-Fei Sun, Qi-Zhong Jin, Xing-Jie Chang, Qian Shi","doi":"10.1002/bmc.6070","DOIUrl":"10.1002/bmc.6070","url":null,"abstract":"<div>\u0000 \u0000 <p>Ginkgolide B (GB) is the main active ginkgolide in <i>Ginkgo biloba</i> leaves extract. Pharmacological study suggested that GB exhibits protective effect on nervous system impaired and can be used in the treatment of dementia, cerebral insufficiency or related cognitive decline. However, the information on pharmacokinetics of GB in vivo was limited. In this study, a sensitive LC–MS/MS analytical method was developed to accurately determinate the concentration of GB in dog plasma and applied to the pharmacokinetic study of GB in dogs after bolus injection of GB. A portion of 100 μL dog plasma was pretreated by liquid–liquid extraction using 1 mL of ethyl acetate. The GB and IS were separated on a Waters ACQUITY HSS T3 column using acetonitrile and water containing 0.1% formic acid as mobile phase, at a flow rate of 0.4 mL/min. Multiple-reaction monitoring (MRM) mode was used for quantitative analysis of GB and tolbutamide (internal standard) in negative electrospray ionization. GB showed excellent linearity with correlation coefficient > 0.99 over the concentration range of 1–5000 ng/mL. The intra and interday RSD% were less than 7.4%, while the RE% ranged from −6.1% to 9.6%. The mean extraction recovery was > 83.1%. The validated method was further successfully applied to pharmacokinetic study of GB in dog plasma. Dose-proportional pharmacokinetics of GB were observed after bolus injection administration in dogs. This comprehensive study of the pharmacokinetics of GB in dogs will provide useful information for its further development in clinic.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 2","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142920574","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Evaluation of the Impact of HIFU on Peptide Bond Formation: A Study Using SPE-LC-MS/MS Methodology 评价HIFU对肽键形成的影响：使用SPE-LC-MS/MS方法的研究。

IF 1.8 4区医学

Biomedical Chromatography Pub Date : 2025-01-02 DOI: 10.1002/bmc.6067

Jiale Liu, Rongfei Yuan, Qi Wang, Hai Qiao, Yuling Yang, Siyu Yang, Hua Zhang, Chang Chen

{"title":"Evaluation of the Impact of HIFU on Peptide Bond Formation: A Study Using SPE-LC-MS/MS Methodology","authors":"Jiale Liu, Rongfei Yuan, Qi Wang, Hai Qiao, Yuling Yang, Siyu Yang, Hua Zhang, Chang Chen","doi":"10.1002/bmc.6067","DOIUrl":"10.1002/bmc.6067","url":null,"abstract":"<div>\u0000 \u0000 <p>High-intensity focused ultrasound (HIFU) is a noninvasive soft tissue ablation technique, which utilizes ultrasound energy to induce thermal coagulation necrosis in targeted tissues. Whether this high energy causes side effects in vivo, such as the formation of peptide bonds, has not been fully investigated. Glycylglycine is the simplest dipeptide and hence is often used as a model compound for peptide studies. In this study, we developed and validated a sensitive quantification method based on ion-exchange solid-phase extraction, liquid chromatography, and tandem mass spectrometry (SPE-LC-MS/MS) for the analysis of glycylglycine without derivatization, and then used it to evaluate whether HIFU promoted peptide bond formation in aqueous solution (without enzymes) and plasma (with enzymes). The results showed that strong cation exchange SPE significantly reduced the matrix effect and improved the sensitivity of the LC-MS/MS method. No formation of glycylglycine in the aqueous solution or plasma was observed following HIFU irradiation.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 2","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142920549","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Highly Sensitive LC–MS/MS Method for Determination of Dexamethasone in Rat Plasma and Brain Tissue: An Application to Pharmacokinetic Study in Rats 高灵敏度LC-MS/MS法测定大鼠血浆和脑组织中地塞米松的药代动力学研究

IF 1.8 4区医学

Biomedical Chromatography Pub Date : 2024-12-28 DOI: 10.1002/bmc.6059

Rama Murthi Bestha, Ashok Zakkula, Madipelli Keerthana, Sandeep Kaddare, Niranjan Veerla, Ramesh Mullangi, Sreekanth Dittakavi

{"title":"Highly Sensitive LC–MS/MS Method for Determination of Dexamethasone in Rat Plasma and Brain Tissue: An Application to Pharmacokinetic Study in Rats","authors":"Rama Murthi Bestha, Ashok Zakkula, Madipelli Keerthana, Sandeep Kaddare, Niranjan Veerla, Ramesh Mullangi, Sreekanth Dittakavi","doi":"10.1002/bmc.6059","DOIUrl":"10.1002/bmc.6059","url":null,"abstract":"<div>\u0000 \u0000 <p>A highly sensitive and rapid LC–MS/MS method was developed and validated for the quantification of dexamethasone in rat plasma and brain tissue. Protein precipitation method was used for sample preparation. The separation of dexamethasone and the IS (labetalol) was achieved on an Atlantis dC<sub>18</sub> column using an isocratic mobile phase (10 mM ammonium formate and acetonitrile, 25/75, v/v) delivered at 0.7 mL/min flow-rate. Dexamethasone and the IS were eluted at 1.03 and 1.06 min, respectively. The MS/MS transitions monitored were <i>m/z</i> 393.100 → 373.100 (dexamethasone) and 329.100 → 91.100 (IS). Method validation was performed as per FDA guidelines and all parameters met the acceptance criteria. The assay was validated with a quantification range of 0.05–1046 ng/mL in both matrices. The intraday and interday precision for were in the range of 2.62–7.28 and 2.76%–6.98% and 2.24–6.85 and 2.97%–6.37%, in plasma and brain tissue, respectively. Dexamethasone was stable in a series of stability conditions in both matrices. Post-intravenous administration to rats, dexamethasone concentrations in plasma and brain tissue were quantifiable up to 24 and 10 h, respectively. Dexamethasone half-life was ~2.30 h. Dexamethasone exhibited low clearance and moderate volume of distribution in plasma but in brain tissue the clearance and volume of distribution were high.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-12-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142891844","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Dynamic Metabolic Characterization of Lung Tissues in Rats Exposed to Whole-Thorax Irradiation Based on GC-MS 基于GC-MS的全胸辐照大鼠肺组织动态代谢表征

IF 1.8 4区医学

Biomedical Chromatography Pub Date : 2024-12-28 DOI: 10.1002/bmc.6061

WenLi Wang, Liming Gu, Xiedong Hong, Zhipiao Gao, Shanghai Liu, Yifan Ren, Yun Wang, Lang Tian, Chang Wang

{"title":"Dynamic Metabolic Characterization of Lung Tissues in Rats Exposed to Whole-Thorax Irradiation Based on GC-MS","authors":"WenLi Wang, Liming Gu, Xiedong Hong, Zhipiao Gao, Shanghai Liu, Yifan Ren, Yun Wang, Lang Tian, Chang Wang","doi":"10.1002/bmc.6061","DOIUrl":"10.1002/bmc.6061","url":null,"abstract":"<div>\u0000 \u0000 <p>An animal model of radiation-induced lung injury (RILI) was established using female rats given sublethal whole-thorax X-ray irradiation (15 Gy) at a dose rate of 2.7 Gy/min. The rats were studied for up to day 45 and compared with sham-irradiated controls. Time-series lung tissue samples during the progression of RILI were collected for dynamic metabolomics studies based on gas chromatography–mass spectrometry (GC-MS). Differential metabolites associated with radiation-induced lung injury were identified, followed by metabolite set enrichment analysis to uncover pathway changes in RILI. The results revealed dynamic metabolic alterations in the progression of RILI, primarily involving in glycine and serine metabolism, the urea cycle, the Warburg effect, glutamate metabolism, arginine and proline metabolism, glucose-alanine cycle, and ammonia recycling. In addition, the potential panel of biomarkers including taurine, lysine, and tyrosine of RILI was selected and then applied to evaluate the diagnostic potential for RILI based on the receiving operator characteristic curve (ROC) at the early-stage of RILI. The better sensitivity, specificity, and accuracy indicate the potential of early diagnosis for RILI. These findings suggest that dynamic metabolomics data could provide new insights into understanding the complex metabolic dysregulation underlying RILI, facilitating the selection of biomarkers for early diagnosis.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-12-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142891843","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Simultaneous Determination of Vitamins A and E and Their Generated Metabolites in Human Serum by LC–MS/MS LC-MS/MS同时测定人血清中维生素A、E及其代谢产物

IF 1.8 4区医学

Biomedical Chromatography Pub Date : 2024-12-28 DOI: 10.1002/bmc.6064

Yongjuan Jia, Xingli Liu, Chunran Liu, Yongmei Chen, Wei Li

{"title":"Simultaneous Determination of Vitamins A and E and Their Generated Metabolites in Human Serum by LC–MS/MS","authors":"Yongjuan Jia, Xingli Liu, Chunran Liu, Yongmei Chen, Wei Li","doi":"10.1002/bmc.6064","DOIUrl":"10.1002/bmc.6064","url":null,"abstract":"<div>\u0000 \u0000 <p>In the context of personalized and precision medicine, simultaneous monitoring of different forms of vitamins A and E and their metabolites could help us better understand the status of vitamins A and E in the body. The aim of this study was to establish a method for simultaneous determination of 13 kinds of vitamins A and E and their metabolites in human serum. Serum samples were directly detected by LC–MS/MS after deproteinization. Chromatographic and mass spectrometry parameters were optimized to achieve good separation and sensitivity for these analytes, especially for isomers. Finally, all analytes were effectively separated on Kinetex biphenyl stationary phase. The method covered a large profile of vitamins A and E and their metabolites in a run time only of 10 min. Good linearities were achieved in the quantitative range for each analyte with the correlation coefficients higher than 0.9916. The recoveries were in the range of 78.8%–111.6% with the intraday and interday precisions within 9.6%. This method was simple, sensitive, and accurate and had been successfully applied for the determination of vitamins A and E and their metabolites in human serum samples and could provide technical support for clinical nutritional evaluation of these vitamins.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-12-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142891845","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Investigation of the Potential Material Basis and Mechanism of Astragali Radix Against Adriamycin-Induced Nephropathy Model Rat by 1H NMR and MS-Based Untargeted Metabolomics Analysis 1H NMR和MS-Based非靶向代谢组学分析探讨黄芪抗阿霉素肾病模型大鼠的潜在物质基础和机制。

IF 1.8 4区医学

Biomedical Chromatography Pub Date : 2024-12-22 DOI: 10.1002/bmc.6054

Aiping Li, Ben Li, Ting Cui, Wangning Zhang, Xuemei Qin

{"title":"Investigation of the Potential Material Basis and Mechanism of Astragali Radix Against Adriamycin-Induced Nephropathy Model Rat by 1H NMR and MS-Based Untargeted Metabolomics Analysis","authors":"Aiping Li, Ben Li, Ting Cui, Wangning Zhang, Xuemei Qin","doi":"10.1002/bmc.6054","DOIUrl":"10.1002/bmc.6054","url":null,"abstract":"<div>\u0000 \u0000 <p>Astragali Radix (AR) is one of the monarch drugs of Fangji Huangqi decoction and has the effects of inducing diuresis to alleviate edema, tonifying and strengthening the body. However, there is a paucity of research regarding the effective fraction and the underlying metabolic mechanism of AR on nephrotic syndrome (NS). This work aims to elucidate the potential mechanisms of AR treating NS, as well as to identify effective part and components. Firstly, body weight, kidney index, 24-h urea protein, and biochemical parameters were used to confirm the kidney injury. The most effective part of AR was determined based on the indicators above. Then, <sup>1</sup>H NMR, UHPLC-QTOF/MS, and GC-MS-based metabolomic approaches were used to investigate differential metabolites closely associated with the effective part against NS. A “C-T-P-D” network (a network diagram of “TCM prescription–herbs–components–targets–metabolites–pathways–disease”) was constructed by intersecting the targets of differential metabolites with those of AR treating NS. The efficacy indicators determined the <i>n</i>-butanol part of AR as the best effective part. Multiplatform metabolomics and network pharmacology study indicated that the potential mechanism for treating NS may be related to targets (MIF, SRC, and GBA) and metabolic pathways (citrate cycle, glyoxylate and dicarboxylate metabolism, alanine, aspartate and glutamate metabolism, and glycolysis/gluconeogenesis).</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142876047","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

GC-MS and HPTLC Fingerprinting Analysis and Evaluation of Antimicrobial Activity of Naga Chilli: An In Vitro and In Silico Approach 气相色谱-质谱和高效液相色谱指纹图谱分析与评价纳迦辣椒的抑菌活性：体外和计算机方法。

IF 1.8 4区医学

Biomedical Chromatography Pub Date : 2024-12-22 DOI: 10.1002/bmc.6058

Moziihrii Chache, Siddhartha Sankar Das, Deijy Choudhury, Bhargab J. Sahariah, Gouhar Jahan Ashraf, Ranabir Sahu, Tarun Kumar Dua, Manish Majumder, Koushik Nandan Dutta

{"title":"GC-MS and HPTLC Fingerprinting Analysis and Evaluation of Antimicrobial Activity of Naga Chilli: An In Vitro and In Silico Approach","authors":"Moziihrii Chache, Siddhartha Sankar Das, Deijy Choudhury, Bhargab J. Sahariah, Gouhar Jahan Ashraf, Ranabir Sahu, Tarun Kumar Dua, Manish Majumder, Koushik Nandan Dutta","doi":"10.1002/bmc.6058","DOIUrl":"10.1002/bmc.6058","url":null,"abstract":"<div>\u0000 \u0000 <p>Naga chilli (<i>Capsicum chinense</i> Jacq.) have garnered significant attention due to the plant's possible health benefits and variety of phytochemical components. Utilizing cutting-edge analytical techniques such as gas chromatography–mass spectrometry (GC-MS) and high-performance thin layer chromatography (HPTLC) in conjunction with bioautography, this study conducts a thorough phytochemical profiling and biological activity assessment of the Naga chilli plant. An in silico docking study was performed for all the bioactive compounds identified through GC-MS against dihydrofolate reductase, a critical enzyme for bacterial survival. Many important components were identified and quantified with the help of subsequent GC-MS and HPTLC analysis. Among them, capsaicinoids were found to be the most prevalent. GC-MS results showed nonadecane (21.28%), 1-dimethyl(phenyl)silyloxypentane (14.53%), capsaicin (13.55%) and 2-pentanone, 4-hydroxy-4-methyl- (11.42%) were the most prevalent. HPTLC report showed capsaicin was 0.833 mg/g of fresh weight of Naga chilli. This study showed good docking scores for some of the constituents, particularly capsaicin, indicating that this plant is a good candidate for antimicrobial activity. This activity of the extract confirms the docking results, which needs to be in focus for further antimicrobial drug development.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142876032","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0