A Comprehensive Analysis of Volatile and Nonvolatile Components in Berberis fortunei and Its Inhibition Against HT29 Colorectal Cancer Cells Through GC‐IMS, LC‐QTOF‐MS, and Docking‐Based Network Analysis

Phytochemical Analysis, Journal Year: 2025, Volume and Issue: unknown

Published: March 4, 2025

ABSTRACT Introduction Berberis fortunei Lindl. (BF) is a medicinal plant widely utilized in East Asia. However, the chemical components present its roots, stems, and leaves have not been systematically analyzed compared. The specific active ingredients that inhibit HT29 colorectal cancer cells are still unclear. Objective aim of this study to comprehensively analyze compositions BF's evaluate their biological function against cells. Methodology GC‐IMS LC‐QTOF‐MS were employed volatile nonvolatile BF, respectively. MTT assay was used inhibitory effects extracts compounds from BF on A network analysis based molecular docking conducted identify potential targets compounds. Results total 77 116 identified BF. activity different parts followed order: roots > stems leaves. Protoberberine‐type alkaloids showed more pronounced at 24 h, whereas bisbenzylisoquinoline‐type demonstrated stronger 48 h. Network revealed significant differences pathways targeted by two types alkaloids. Conclusion This only but also examined inhibiting cells, laying theoretical foundation for further development application. findings provide diverse lead subsequent drugs cancer.

Language: Английский

---

A strategy to distinguish similar traditional Chinese medicines by liquid chromatography–mass spectrometry, electronic senses, and gas chromatography–ion mobility spectrometry: Marsdeniae tenacissimae Caulis and Paederiae scandens Caulis as examples

Phytochemical Analysis, Journal Year: 2024, Volume and Issue: unknown

Published: July 22, 2024

Abstract Introduction Marsdeniae tenacissimae Caulis (MTC), a popular traditional Chinese medicine, has been widely used in the treatment of tumor diseases. Paederiae scandens (PSC), which is similar appearance to MTC, common counterfeit product. It difficult for methods effectively distinguish between MTC and PSC. Therefore, there an urgent need rapid accurate method identify Objectives The aim PSC by analyzing differences nonvolatile organic compounds (NVOCs), taste, odor, volatile (VOCs). Methods Liquid chromatography–mass spectrometry (LC‐MS) was utilized analyze NVOCs Electronic tongue (E‐tongue) electronic nose (E‐nose) were their taste odor respectively. Gas chromatography–ion mobility (GC‐IMS) applied VOCs. Finally, multivariate statistical analyses conducted further investigate PSC, including principal component analysis, orthogonal partial least squares discriminant factor soft independent modeling class analysis. Results results this study indicate that integrated strategy LC‐MS, E‐tongue, E‐nose, GC‐IMS, analysis can be Using 25 identified while 18 major are steroids, iridoid glycosides. Similarly, distinct difference precisely revealed E‐tongue. Specifically, pronounced bitterness proven stem from glycosides, whereas evident intimately tied steroids. E‐nose detected eight components six subsequent uncovered notable profiles. GC‐IMS provided visual representation VOCs indicated relatively high relative content 82 contrasted with 32 exhibiting similarly Conclusion In study, first time, combined use effective distinguishing multiple perspectives. This approach provides valuable reference identification other visually medicines.

Language: Английский

---

Integration of High-Resolution LC-Q-TOF Mass Spectrometry and Multidimensional Chemical−Biological Analysis to Detect Nanomolar-Level Acetylcholinesterase Inhibitors from Different Parts of Zanthoxylum nitidum

Journal of Agricultural and Food Chemistry, Journal Year: 2024, Volume and Issue: 72(31), P. 17328 - 17342

Published: July 24, 2024

Zanthoxyli radix is a popular tea among the elderly, and it believed to have positive effect on Alzheimer's disease. In this study, highly effective three-step strategy was proposed for comprehensive analysis of active components biological functions Zanthoxylum nitidum (ZN), including high-resolution LC-Q-TOF mass spectrometry (HRMS), multivariate statistical heterogeneity (MSAH), experimental virtual screening bioactivity (EVBA). A total 117 compounds were identified from root, stem, leaf ZN through HRMS. Bioactivity assays showed that order acetylcholinesterase (AChE) inhibitory activity strong weak root > stem leaf. Nitidine, chelerythrine, sanguinarine found be main differential by OPLS-DA. The IC50 values three are 0.81 ± 0.02, 0.14 0.01, 0.48 0.01 μM respectively, indicating they potent high-quality AChE inhibitors. Molecular docking pi-pi T-shaped interactions pi-lone pairs played important roles in inhibition. This study not only explains function alleviating disease some extent, but also lays foundation development ZN.

Language: Английский

---

Comprehensive profiling and identification of C21 steroids in the root of Marsdenia tenacissima (Dai-Bai-Jie) using offline two-dimensional chromatography (LC × SFC) with Q-TOF/MS

Journal of Chromatography A, Journal Year: 2024, Volume and Issue: 1739, P. 465527 - 465527

Published: Nov. 20, 2024

Language: Английский

---