دورية أكاديمية
Integrated strategy for the screening of cyclooxygenase-2 inhibitors from triterpenoid saponins in Clematis tangutica.
| العنوان: | Integrated strategy for the screening of cyclooxygenase-2 inhibitors from triterpenoid saponins in Clematis tangutica. |
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| المؤلفون: | Wei Y; Key Laboratory of Hexi Corridor Resources Utilization of Gansu, Hexi University, Zhangye, China.; Northwest Institute of Plateau Biology, Chinese Academy of Sciences, Xining, China., Chen T; Northwest Institute of Plateau Biology, Chinese Academy of Sciences, Xining, China.; Savaid Medical School, University of Chinese Academy of Sciences, Beijing, China., Wang S; Northwest Institute of Plateau Biology, Chinese Academy of Sciences, Xining, China., Shen C; Northwest Institute of Plateau Biology, Chinese Academy of Sciences, Xining, China., Song Z; Northwest Institute of Plateau Biology, Chinese Academy of Sciences, Xining, China.; Savaid Medical School, University of Chinese Academy of Sciences, Beijing, China., Li A; Northwest Institute of Plateau Biology, Chinese Academy of Sciences, Xining, China.; Savaid Medical School, University of Chinese Academy of Sciences, Beijing, China., Li H; Northwest Institute of Plateau Biology, Chinese Academy of Sciences, Xining, China.; Savaid Medical School, University of Chinese Academy of Sciences, Beijing, China., Li Y; Northwest Institute of Plateau Biology, Chinese Academy of Sciences, Xining, China. |
| المصدر: | Phytochemical analysis : PCA [Phytochem Anal] 2023 Aug; Vol. 34 (6), pp. 692-704. Date of Electronic Publication: 2023 Jul 10. |
| نوع المنشور: | Journal Article |
| اللغة: | English |
| بيانات الدورية: | Publisher: Wiley Country of Publication: England NLM ID: 9200492 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1099-1565 (Electronic) Linking ISSN: 09580344 NLM ISO Abbreviation: Phytochem Anal Subsets: MEDLINE |
| أسماء مطبوعة: | Original Publication: Chichester, Sussex, UK : Wiley, c1990- |
| مواضيع طبية MeSH: | Clematis*/chemistry , Saponins*/chemistry , Triterpenes*/analysis, Cyclooxygenase 2 Inhibitors/pharmacology ; Cyclooxygenase 2 ; Molecular Docking Simulation ; Chromatography, High Pressure Liquid |
| مستخلص: | Introduction: Screening of novel cyclooxygenase-2 (COX-2) inhibitors from complex natural products is not an easy task. Objectives: To establish an efficient and feasible strategy for screening COX-2 inhibitors from triterpenoid saponins (TPSs) in Clematis tangutica. Methods: Taking TPSs in C. tangutica as example, an optimized macroporous resin (MR) method was established for the enrichment of TPSs. High-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (HPLC-QTOFMS) was performed to establish the phytochemical profiling of TPSs. Molecular docking was performed to predict the ligand-target interactions and discover the active substances. Chemometric techniques were performed to visualize the structure-effect relationships. High-speed countercurrent chromatography and preparative HPLC were performed to prepare the targets. In vitro activity experiment of COX-2 was performed to verify the virtual screening results. Results: TPSs in C. tangutica were well enriched with the recovery rate of (80.22 ± 2.37)%. Thirty-four kinds of TPSs of oleanane type were deduced by HPLC-QTOFMS. Five TPSs of clematangoside C, clematangoside D, clematangoticoside J, hederoside H Conclusion: The integrated strategy using MR, HPLC-QTOFMS, molecular docking, chemometrics, target preparation, and in vitro verification was feasible for rapidly screening COX-2 inhibitors from TPSs in C. tangutica. (© 2023 John Wiley & Sons Ltd.) |
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| معلومات مُعتمدة: | 82174052 National Natural Science Foundation of China; 2020-ZJ-T02 Innovation Platform Construction Project of Qinghai Province; 2020425 Youth Innovation Promotion Association of the Chinese Academy of Sciences; 23JRRG0003 Natural Science Foundation of Gansu Province; KYQD2023003 Doctoral Research Initiation Fund of Hexi University; 22YF7GG127 Science and Technology Program of Gansu Province; 23JRRG0002 Key Project of Gansu Natural Science Foundation; 2019A-01 Project of Higher Education Industry Support and Guidance of Gansu Province |
| فهرسة مساهمة: | Keywords: COX-2 inhibitors; HPLC-QTOFMS; chemometrics; molecule docking; triterpenoid saponins |
| المشرفين على المادة: | 0 (Cyclooxygenase 2 Inhibitors) 0 (Saponins) EC 1.14.99.1 (Cyclooxygenase 2) 0 (Triterpenes) |
| تواريخ الأحداث: | Date Created: 20230711 Date Completed: 20230802 Latest Revision: 20230802 |
| رمز التحديث: | 20240628 |
| DOI: | 10.1002/pca.3260 |
| PMID: | 37431174 |
| قاعدة البيانات: | MEDLINE |
Full Text Finder | تدمد: | 1099-1565 |
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| DOI: | 10.1002/pca.3260 |