Screening of ERβ‐Targeted Antipostmenopausal Osteoporosis Chemical Constituents From <scp> <i>Cornus officinalis</i> </scp> Based on Affinity Ultrafiltration and UHPLC‐Q‐Exactive Orbitrap MS

To screen for anti-PMO active components in Cornus officinalis based on ERβ enzyme activity using affinity ultrafiltration and molecular docking techniques.ERβ enzyme and UHPLC-Q-Exactive Orbitrap MS were employed to analyze the anti-PMO activity and predict the components of different concentrations of ethanol extracts of C. officinalis. Molecular docking was used to verify the interaction mechanism between small molecule ligands and ERβ. The anti-PMO activity of the predicted components was further verified using MC3T3-L1 cells. The results showed that the ERβ enzyme can serve as a target enzyme for screening anti-PMO components. The 50% ethanol extract exhibited the best activity. UHPLC-Q-Exactive Orbitrap MS identified and analyzed 17 potential active components. Based on the binding rate and molecular docking results, the following three active components were identified: sweroside, 4-hydroxycinnamic acid, and cornuside. In vitro activity validation confirmed that these components have potential anti-PMO effects. The ERβ enzyme can be used as a potential target enzyme for screening anti-PMO active components in traditional Chinese medicine. The combination of affinity ultrafiltration and molecular docking provides an effective and rapid method for active component screening, offering valuable references for the targeted therapy, mechanism exploration, and quality control of traditional Chinese medicine.

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Publication Details

Journal
Biomedical Chromatography
Published
2025-11-28
DOI
https://doi.org/10.1002/bmc.70270
Primary Topic
Bone Metabolism and Diseases
Type
article
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article

Screening of ERβ‐Targeted Antipostmenopausal Osteoporosis Chemical Constituents From Cornus officinalis Based on Affinity Ultrafiltration and UHPLC‐Q‐Exactive Orbitrap MS

Ming Yang, Guangfu Lv, Yishan Li, Wei Feng et al.
Biomedical Chromatography
Bone Metabolism and Diseases
article

Screening of ERβ‐Targeted Antipostmenopausal Osteoporosis Chemical Constituents From Cornus officinalis Based on Affinity Ultrafiltration and UHPLC‐Q‐Exactive Orbitrap MS

Ming Yang, Guangfu Lv, Yishan Li, Wei Feng, Yawen Li, Shuo Wang, Wanjie Liu, Jiaming SUN, Kunping Yang
article en

Abstract

To screen for anti-PMO active components in Cornus officinalis based on ERβ enzyme activity using affinity ultrafiltration and molecular docking techniques.ERβ enzyme and UHPLC-Q-Exactive Orbitrap MS were employed to analyze the anti-PMO activity and predict the components of different concentrations of ethanol extracts of C. officinalis. Molecular docking was used to verify the interaction mechanism between small molecule ligands and ERβ. The anti-PMO activity of the predicted components was further verified using MC3T3-L1 cells. The results showed that the ERβ enzyme can serve as a target enzyme for screening anti-PMO components. The 50% ethanol extract exhibited the best activity. UHPLC-Q-Exactive Orbitrap MS identified and analyzed 17 potential active components. Based on the binding rate and molecular docking results, the following three active components were identified: sweroside, 4-hydroxycinnamic acid, and cornuside. In vitro activity validation confirmed that these components have potential anti-PMO effects. The ERβ enzyme can be used as a potential target enzyme for screening anti-PMO active components in traditional Chinese medicine. The combination of affinity ultrafiltration and molecular docking provides an effective and rapid method for active component screening, offering valuable references for the targeted therapy, mechanism exploration, and quality control of traditional Chinese medicine.

Biomedical ChromatographyVol. 40(1)
Hebei University of Chinese Medicine (CN), Changchun University of Chinese Medicine (CN)
Openalex Percentile: Top 66%
Bone Metabolism and Diseases
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