Rapid identification of chemical components and screening of acetylcholinesterase inhibitors from Dalbergia odorifera based on mass defect and diagnostic ion filtering strategy, affinity ultrafiltration, and liquid chromatography‐tandem mass spectrometry DOI
Bin Zhang,

Yuecheng Liu,

Ling Zhang

et al.

Journal of Separation Science, Journal Year: 2024, Volume and Issue: 47(14)

Published: July 1, 2024

Dalbergia odorifera is a natural product rich in pharmacological ingredients, but the comprehensive characterization and rapid profiling of active components remain challenge. Thus, an integrated data mining identification strategy was exploited to efficiently identify chemical constituents screen acetylcholinesterase inhibitors (AChEIs) through affinity ultrafiltration ultra‐high‐performance liquid chromatography‐mass spectrometry (AUF‐UHPLC‐MS). As result, polygonal mass defect filtering, diagnostic ions, neutral loss rules were created for structural classification component identification. A total 140 flavonoids tentatively characterized, including 41 isoflavonoids, 23 flavanones, 21 isoflavans, 19 flavones flavonols, 13 neoflavonoids, 11 isoflavanones, seven flavone glycosides, five chalcones. Subsequently, six AChEIs tectorigenin, fisetin, dalbergin, pterostilbene, isoliquiritigenin, biochanin screened out using AUF‐UHPLC‐MS molecular docking. Meanwhile, AChE inhibitory activities compounds assessed vitro, fisetinand, dalbergin have moderate activity. In conclusion, novel systematic further screening products established, which provides material basis quality control .

Language: Английский

Rapid identification of chemical components and screening of acetylcholinesterase inhibitors from Dalbergia odorifera based on mass defect and diagnostic ion filtering strategy, affinity ultrafiltration, and liquid chromatography‐tandem mass spectrometry DOI
Bin Zhang,

Yuecheng Liu,

Ling Zhang

et al.

Journal of Separation Science, Journal Year: 2024, Volume and Issue: 47(14)

Published: July 1, 2024

Dalbergia odorifera is a natural product rich in pharmacological ingredients, but the comprehensive characterization and rapid profiling of active components remain challenge. Thus, an integrated data mining identification strategy was exploited to efficiently identify chemical constituents screen acetylcholinesterase inhibitors (AChEIs) through affinity ultrafiltration ultra‐high‐performance liquid chromatography‐mass spectrometry (AUF‐UHPLC‐MS). As result, polygonal mass defect filtering, diagnostic ions, neutral loss rules were created for structural classification component identification. A total 140 flavonoids tentatively characterized, including 41 isoflavonoids, 23 flavanones, 21 isoflavans, 19 flavones flavonols, 13 neoflavonoids, 11 isoflavanones, seven flavone glycosides, five chalcones. Subsequently, six AChEIs tectorigenin, fisetin, dalbergin, pterostilbene, isoliquiritigenin, biochanin screened out using AUF‐UHPLC‐MS molecular docking. Meanwhile, AChE inhibitory activities compounds assessed vitro, fisetinand, dalbergin have moderate activity. In conclusion, novel systematic further screening products established, which provides material basis quality control .

Language: Английский

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