Comprehensive Investigation of Sweroside Metabolism in Rats Using a De Novo Strategy Based on Ultra‐High‐Performance Liquid Chromatography/Quadrupole‐Exactive Mass Spectrometry DOI Open Access
Xuelin Sun, Zhanpeng Shang,

Yatong Zhang

et al.

Journal of Separation Science, Journal Year: 2024, Volume and Issue: 47(23)

Published: Dec. 1, 2024

ABSTRACT Sweroside, a natural secoiridoid glycoside derived from various medicinal plants, is known for its anti‐tumor, anti‐inflammatory, and hepatoprotective properties. However, pharmacological significance not fully supported by low systemic exposure. In this study, de novo strategy was proposed to investigate the metabolism of sweroside in rats, including drug administration, sample pretreatment, ultra‐high‐performance liquid chromatography/Quadrupole‐Exactive mass spectrometry data acquisition, processing, semi‐quantitative analysis. First, following oral administration plasma, urine, feces were collected, respectively mixed using area‐under‐the‐curve pooling method. Secondly, data‐dependent, dynamic exclusion, parallel reaction monitoring scan modes employed build tandem spectra database. Using neutral loss fragment‐based method, target metabolites effectively filtered. As result, demonstrated be extensively metabolized, while 18 identified nine them newly reported. Sweroside predominantly underwent phase II metabolism, glycosylation, sulfonation, glucuronidation, deglycosylation, primarily excreted via kidney. Notably, N ‐heterocyclization (M7 M10) likely catalyzed intestinal bacteria. This study only elucidates vivo elimination but also offers an efficient approach profiling specific molecules.

Language: Английский

Rapidly screening of pancreatic lipase inhibitors from Sibiraea angustata (rehd.) Hand.-Mazz. leaves using affinity ultrafiltration combined with HPLC-QTOFMS, molecular docking, targeted separation, and in vitro experimental verification DOI

Hai Song,

Yangfei Wei,

Zhixiang Gu

et al.

Natural Product Research, Journal Year: 2025, Volume and Issue: unknown, P. 1 - 8

Published: Jan. 24, 2025

An integrated strategy was proposed for the rapid screening of pancreatic lipase inhibitors from Sibiraea angustata (Rehd.) Hand.-Mazz. (S. angustata) leaves based on affinity ultrafiltration, high-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (HPLC-QTOFMS), molecular docking, targeted separation and in vitro experimental verification. A total fifteen target compounds, including five flavonoids, one phenylpropanol glycoside nine terpenoids, had been screened as ethyl acetate n-butanol fractions S. leaves. Among these thirteen them are reported first time. Hyperin, quercetin-3,4′-diglucoside peltatoside showed stronger binding abilities with ΔG values −9.9, −10.2 −9.2 kcal/mol while IC50 were 0.987 ± 0.079, 0.718 0.054 0.916 0.069 mmol/L, respectively. The compounds separated purities higher than 98% using macroporous resin preparative chromatography.

Language: Английский

Citations

0
Rapid processing of liquid chromatography mass spectrometry data for compound screening and characterization in complex matrix based on Python: with Meconopsis quintuplinervia Regel as an example DOI
Jiahao Yang,

Xialin Zhu,

Le Li

et al.

Journal of Chromatography A, Journal Year: 2025, Volume and Issue: 1753, P. 466022 - 466022

Published: May 5, 2025

Language: Английский

Citations

0
Comprehensive Investigation of Sweroside Metabolism in Rats Using a De Novo Strategy Based on Ultra‐High‐Performance Liquid Chromatography/Quadrupole‐Exactive Mass Spectrometry DOI Open Access
Xuelin Sun, Zhanpeng Shang,

Yatong Zhang

et al.

Journal of Separation Science, Journal Year: 2024, Volume and Issue: 47(23)

Published: Dec. 1, 2024

ABSTRACT Sweroside, a natural secoiridoid glycoside derived from various medicinal plants, is known for its anti‐tumor, anti‐inflammatory, and hepatoprotective properties. However, pharmacological significance not fully supported by low systemic exposure. In this study, de novo strategy was proposed to investigate the metabolism of sweroside in rats, including drug administration, sample pretreatment, ultra‐high‐performance liquid chromatography/Quadrupole‐Exactive mass spectrometry data acquisition, processing, semi‐quantitative analysis. First, following oral administration plasma, urine, feces were collected, respectively mixed using area‐under‐the‐curve pooling method. Secondly, data‐dependent, dynamic exclusion, parallel reaction monitoring scan modes employed build tandem spectra database. Using neutral loss fragment‐based method, target metabolites effectively filtered. As result, demonstrated be extensively metabolized, while 18 identified nine them newly reported. Sweroside predominantly underwent phase II metabolism, glycosylation, sulfonation, glucuronidation, deglycosylation, primarily excreted via kidney. Notably, N ‐heterocyclization (M7 M10) likely catalyzed intestinal bacteria. This study only elucidates vivo elimination but also offers an efficient approach profiling specific molecules.

Language: Английский

Citations

2