A Novel Platform Featuring Nanomagnetic Ligand Fishing Based on Fixed-Orientation Immobilized Magnetic Beads for Screening Potential Cyclooxygenase-2 Inhibitors from <i>Panax notoginseng</i> Leaves

A novel screening platform based on an Fe<sub>3</sub>O<sub>4</sub>@C@PDA-Ni<sup>2+</sup>@COX-2 ligand fishing combination with high-performance liquid chromatography–mass spectrometry was first designed, synthesized, and employed to screen and identify COX-2 inhib...

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Main Authors: Fan Zhang, Fan Sun, Lequan Yu, Fei Li, Lixia Liu, Xiaoyan Cao, Yi Zhang, Lijie Wu
Format: Article
Language:English
Published: MDPI AG 2024-12-01
Series:Molecules
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Online Access:https://www.mdpi.com/1420-3049/29/23/5801
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author Fan Zhang
Fan Sun
Lequan Yu
Fei Li
Lixia Liu
Xiaoyan Cao
Yi Zhang
Lijie Wu
author_facet Fan Zhang
Fan Sun
Lequan Yu
Fei Li
Lixia Liu
Xiaoyan Cao
Yi Zhang
Lijie Wu
author_sort Fan Zhang
collection DOAJ
description A novel screening platform based on an Fe<sub>3</sub>O<sub>4</sub>@C@PDA-Ni<sup>2+</sup>@COX-2 ligand fishing combination with high-performance liquid chromatography–mass spectrometry was first designed, synthesized, and employed to screen and identify COX-2 inhibitors from <i>Panax notoginseng</i> leaves. The obtained magnetic nanoparticles exhibit outstanding preconcentration ability that allows for controlling the enzyme orientation to avoid enzyme active site blocking, conformational changes, or denaturing during immobilization. The as-prepared Fe<sub>3</sub>O<sub>4</sub>@C@PDA-Ni<sup>2+</sup>@COX-2 composite was carefully characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), Fourier-transform infrared spectrometry (FT-IR), Xray powder diffraction (XRD), thermal gravimetric analyzer (TGA), vibrating sample magnetometer (VSM), and Zeta potential analysis. The analytical parameters influencing the magnetic solid-phase fishing efficiency were optimized by univariate and multivariate methods (Box–Behnken design) by testing a positive control and celecoxib with active and inactive COX-2. Under the optimized ligand fishing conditions, twelve potential COX-2 inhibitors were screened and characterized in <i>Panax notoginseng</i> leaves. The results indicate that the proposed method provides a simple, feasible, selective, and effective platform for the efficient screening and identification of active compounds from Chinese herbal medicine. It has guiding significance for the synthesis and development of novel anti-inflammatory drugs, and provides a reference for the efficient discovery of anti-inflammatory drugs or lead compounds from the complex system of Chinese herbal medicine.
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spelling doaj-art-a07d024ceb67455aa93b63b5e9a3a4602025-08-20T02:50:34ZengMDPI AGMolecules1420-30492024-12-012923580110.3390/molecules29235801A Novel Platform Featuring Nanomagnetic Ligand Fishing Based on Fixed-Orientation Immobilized Magnetic Beads for Screening Potential Cyclooxygenase-2 Inhibitors from <i>Panax notoginseng</i> LeavesFan Zhang0Fan Sun1Lequan Yu2Fei Li3Lixia Liu4Xiaoyan Cao5Yi Zhang6Lijie Wu7College of Chinese Materia Medica, Tianjin University of Traditional Chinese Medicine, 10 Poyanghu Road, West Area, Tuanbo New Town, Jinghai District, Tianjin 301617, ChinaTianjin Key Laboratory of TCM Chemistry and Analysis, Tianjin University of Traditional Chinese Medicine, 10 Poyanghu Road, West Area, Tuanbo New Town, Jinghai District, Tianjin 301617, ChinaTianjin Key Laboratory of TCM Chemistry and Analysis, Tianjin University of Traditional Chinese Medicine, 10 Poyanghu Road, West Area, Tuanbo New Town, Jinghai District, Tianjin 301617, ChinaTianjin Key Laboratory of TCM Chemistry and Analysis, Tianjin University of Traditional Chinese Medicine, 10 Poyanghu Road, West Area, Tuanbo New Town, Jinghai District, Tianjin 301617, ChinaTianjin Key Laboratory of TCM Chemistry and Analysis, Tianjin University of Traditional Chinese Medicine, 10 Poyanghu Road, West Area, Tuanbo New Town, Jinghai District, Tianjin 301617, ChinaTianjin Key Laboratory of TCM Chemistry and Analysis, Tianjin University of Traditional Chinese Medicine, 10 Poyanghu Road, West Area, Tuanbo New Town, Jinghai District, Tianjin 301617, ChinaCollege of Chinese Materia Medica, Tianjin University of Traditional Chinese Medicine, 10 Poyanghu Road, West Area, Tuanbo New Town, Jinghai District, Tianjin 301617, ChinaCollege of Chinese Materia Medica, Tianjin University of Traditional Chinese Medicine, 10 Poyanghu Road, West Area, Tuanbo New Town, Jinghai District, Tianjin 301617, ChinaA novel screening platform based on an Fe<sub>3</sub>O<sub>4</sub>@C@PDA-Ni<sup>2+</sup>@COX-2 ligand fishing combination with high-performance liquid chromatography–mass spectrometry was first designed, synthesized, and employed to screen and identify COX-2 inhibitors from <i>Panax notoginseng</i> leaves. The obtained magnetic nanoparticles exhibit outstanding preconcentration ability that allows for controlling the enzyme orientation to avoid enzyme active site blocking, conformational changes, or denaturing during immobilization. The as-prepared Fe<sub>3</sub>O<sub>4</sub>@C@PDA-Ni<sup>2+</sup>@COX-2 composite was carefully characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), Fourier-transform infrared spectrometry (FT-IR), Xray powder diffraction (XRD), thermal gravimetric analyzer (TGA), vibrating sample magnetometer (VSM), and Zeta potential analysis. The analytical parameters influencing the magnetic solid-phase fishing efficiency were optimized by univariate and multivariate methods (Box–Behnken design) by testing a positive control and celecoxib with active and inactive COX-2. Under the optimized ligand fishing conditions, twelve potential COX-2 inhibitors were screened and characterized in <i>Panax notoginseng</i> leaves. The results indicate that the proposed method provides a simple, feasible, selective, and effective platform for the efficient screening and identification of active compounds from Chinese herbal medicine. It has guiding significance for the synthesis and development of novel anti-inflammatory drugs, and provides a reference for the efficient discovery of anti-inflammatory drugs or lead compounds from the complex system of Chinese herbal medicine.https://www.mdpi.com/1420-3049/29/23/5801ligand fishingmagnetic nanoparticlesimmobilized enzymesCOX-2 inhibitors<i>Panax notoginseng</i> leaves
spellingShingle Fan Zhang
Fan Sun
Lequan Yu
Fei Li
Lixia Liu
Xiaoyan Cao
Yi Zhang
Lijie Wu
A Novel Platform Featuring Nanomagnetic Ligand Fishing Based on Fixed-Orientation Immobilized Magnetic Beads for Screening Potential Cyclooxygenase-2 Inhibitors from <i>Panax notoginseng</i> Leaves
Molecules
ligand fishing
magnetic nanoparticles
immobilized enzymes
COX-2 inhibitors
<i>Panax notoginseng</i> leaves
title A Novel Platform Featuring Nanomagnetic Ligand Fishing Based on Fixed-Orientation Immobilized Magnetic Beads for Screening Potential Cyclooxygenase-2 Inhibitors from <i>Panax notoginseng</i> Leaves
title_full A Novel Platform Featuring Nanomagnetic Ligand Fishing Based on Fixed-Orientation Immobilized Magnetic Beads for Screening Potential Cyclooxygenase-2 Inhibitors from <i>Panax notoginseng</i> Leaves
title_fullStr A Novel Platform Featuring Nanomagnetic Ligand Fishing Based on Fixed-Orientation Immobilized Magnetic Beads for Screening Potential Cyclooxygenase-2 Inhibitors from <i>Panax notoginseng</i> Leaves
title_full_unstemmed A Novel Platform Featuring Nanomagnetic Ligand Fishing Based on Fixed-Orientation Immobilized Magnetic Beads for Screening Potential Cyclooxygenase-2 Inhibitors from <i>Panax notoginseng</i> Leaves
title_short A Novel Platform Featuring Nanomagnetic Ligand Fishing Based on Fixed-Orientation Immobilized Magnetic Beads for Screening Potential Cyclooxygenase-2 Inhibitors from <i>Panax notoginseng</i> Leaves
title_sort novel platform featuring nanomagnetic ligand fishing based on fixed orientation immobilized magnetic beads for screening potential cyclooxygenase 2 inhibitors from i panax notoginseng i leaves
topic ligand fishing
magnetic nanoparticles
immobilized enzymes
COX-2 inhibitors
<i>Panax notoginseng</i> leaves
url https://www.mdpi.com/1420-3049/29/23/5801
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