Phytochemical analysis : PCA · 2025
High-Efficiency Screening of Compounds Targeting Postmenopausal Osteoporosis in Cuscutae Semen Based on Affinity Ultrafiltration-UPLC-QE-Orbitrap-MS Platform.
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Yishan Li, Yawen Li, Wanjie Liu, Kunping Yang, Wei Feng, Tian Xu, Xiaochen Gao, Jiaming Sun
Аннотация
INTRODUCTION: Postmenopausal osteoporosis, a skeletal disorder induced by estrogen deficiency, is commonly addressed in clinical practice through the use of Cuscutae semen and its compound formulations, owing to their significant therapeutic efficacy.
OBJECTIVE: This study sought to systematically identify bioactive compounds present in Cuscutae semen that interact with estrogen receptor β (ESR2) using Affinity Ultrafiltration combined with Ultra-Performance Liquid Chromatography-Quadrupole-Orbitrap Mass Spectrometry (UPLC-QE-Orbitrap-MS) to find possible therapy options for PMOP.
METHODS: The Cuscutae semen extract was fractionated using a C18 column to obtain fractions based on distinct polarity. Preliminary evaluation of anti-osteoporotic activity was conducted in MC3T3-E1 cells by assessing osteoprotegerin (OPG) expression. Affinity Ultrafiltration integrated with UPLC-QE-Orbitrap-MS was utilized to screen for ligands binding to ESR2, followed by molecular docking to validate the interaction mechanisms. The osteogenic effects of the identified compounds were further confirmed through CCK-8 proliferation assays, OPG quantification, and alkaline phosphatase (ALP) activity analysis.
RESULTS: The fraction of Cuscutae semen extract eluted with 100% methanol exhibited significant anti-osteoporotic activity. Three flavonoids-Astragalin, Isorhamnetin, and Quercitrin-that interact with ESR2 were successfully identified. In vitro validation demonstrated the efficacy of these compounds.
CONCLUSION: This study presents a comprehensive strategy that integrates Affinity Ultrafiltration, UPLC-QE-Orbitrap-MS, and bioactivity validation to efficiently identify ESR2-targeted postmenopausal osteoporosis compounds in Cuscutae Semen. The findings offer both theoretical and empirical foundations for the development of innovative therapeutics for postmenopausal osteoporosis.
OBJECTIVE: This study sought to systematically identify bioactive compounds present in Cuscutae semen that interact with estrogen receptor β (ESR2) using Affinity Ultrafiltration combined with Ultra-Performance Liquid Chromatography-Quadrupole-Orbitrap Mass Spectrometry (UPLC-QE-Orbitrap-MS) to find possible therapy options for PMOP.
METHODS: The Cuscutae semen extract was fractionated using a C18 column to obtain fractions based on distinct polarity. Preliminary evaluation of anti-osteoporotic activity was conducted in MC3T3-E1 cells by assessing osteoprotegerin (OPG) expression. Affinity Ultrafiltration integrated with UPLC-QE-Orbitrap-MS was utilized to screen for ligands binding to ESR2, followed by molecular docking to validate the interaction mechanisms. The osteogenic effects of the identified compounds were further confirmed through CCK-8 proliferation assays, OPG quantification, and alkaline phosphatase (ALP) activity analysis.
RESULTS: The fraction of Cuscutae semen extract eluted with 100% methanol exhibited significant anti-osteoporotic activity. Three flavonoids-Astragalin, Isorhamnetin, and Quercitrin-that interact with ESR2 were successfully identified. In vitro validation demonstrated the efficacy of these compounds.
CONCLUSION: This study presents a comprehensive strategy that integrates Affinity Ultrafiltration, UPLC-QE-Orbitrap-MS, and bioactivity validation to efficiently identify ESR2-targeted postmenopausal osteoporosis compounds in Cuscutae Semen. The findings offer both theoretical and empirical foundations for the development of innovative therapeutics for postmenopausal osteoporosis.