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A NMR-based drug screening strategy for discovering active substances from herbal medicines: Using Radix Polygoni Multiflon as example
Wan, Hong1; Tian, Yafeng2; Jiang, Haipeng2; Zhang, Xu3; Ju, Xiulian2
2020-05-23
Source PublicationJOURNAL OF ETHNOPHARMACOLOGY
ISSN0378-8741
Volume254Pages:8
AbstractEthnopharmacological relevance: Herbal medicines have always been important sources for new drugs. And developing new drugs from traditional herbal medicine is currently still an effective way. However, screening for active substances from herbal medicines extracts has ever been a challenging topic, due to their intrinsic complexity. The herb Radix Polygoni Multiflori has been used as a tonic and an antiaging herb in Traditional Chinese Medicine. In clinical studies, the extract of Radix Polygoni Multiflori can improve hypercholesterolemia, ather-osclerotic, diabetes and other diseases commonly associated with glycolipid metabolism, however, the molecular mechanisms of these actions are unknown. Aim of the study: We devised a NMR-based drug screening strategy for discovering active substances from herbal medicines, using Radix Polygoni Multiflori as example to address such challenging topic, meanwhile, to explore molecular target of Radix Polygoni Multiflori's glycolipid metabolism benefit. Materials and methods: Herbal medicines extracts were subjected to moderate separation to generate libraries of prepurified subfractions, target protein was then added to each subfraction, and ligand-observed NMR experiments (line-broadening experiment, chemical shift perturbations measurements and saturation transfer difference spectrum) were performed, active substances identification and structural optimization were then accomplished using signals provided by ligand-observed NMR interaction detection and HPLC-SPE-NMR. The strategy was demonstrated by discovering an active component from extract of herb Radix Polygoni Multiflori, using human fatty acid binding protein 4 (FABP4) as target protein. Results: 2,4-dihydroxy 6 [(1E)-2-(4-hydroxyphenyeetheny]phenyl-beta-D glucopyranoside(TSG), the hit from one subfraction, has obvious interaction with target protein FABP(4), due to FABP(4) is a potential therapeutic target for metabolic diseases such as diabetes and atherosclerosis, the screening result will give clue to the active component and molecular target of Radix Polygoni Multiflori's glycolipid metabolism benefit. Besides, interaction information at atom level offered by ligand-observed NMR experiment would be valuable in the further stage of lead optimization. Conclusions: The devised NMR-based drug screening strategy can discover active substances from herbal medicines efficiently and precisely, meanwhile, can shed light on molecular mechanism of traditional usage of the herb.
KeywordNMR-Based drug screening Herbal medicines Radix Polygoni Multifiori Ligand-detected experiments Saturation transfer difference spectrum(STD) Fatty acid binding protein 4 (FABP(4)) HPLC-SPE-NMR
Funding OrganizationNational Key R&D Program of China ; National Key R&D Program of China ; Innovation Fund of Hubei Collaborative Innovation Center for Bioactive Polypeptide Diabetes Drugs ; Innovation Fund of Hubei Collaborative Innovation Center for Bioactive Polypeptide Diabetes Drugs ; National Key R&D Program of China ; National Key R&D Program of China ; Innovation Fund of Hubei Collaborative Innovation Center for Bioactive Polypeptide Diabetes Drugs ; Innovation Fund of Hubei Collaborative Innovation Center for Bioactive Polypeptide Diabetes Drugs ; National Key R&D Program of China ; National Key R&D Program of China ; Innovation Fund of Hubei Collaborative Innovation Center for Bioactive Polypeptide Diabetes Drugs ; Innovation Fund of Hubei Collaborative Innovation Center for Bioactive Polypeptide Diabetes Drugs ; National Key R&D Program of China ; National Key R&D Program of China ; Innovation Fund of Hubei Collaborative Innovation Center for Bioactive Polypeptide Diabetes Drugs ; Innovation Fund of Hubei Collaborative Innovation Center for Bioactive Polypeptide Diabetes Drugs
DOI10.1016/j.jep.2020.112712
WOS KeywordNATURAL-PRODUCT LIBRARIES ; GUIDING PRINCIPLES ; BINDING PROTEINS ; INHIBITORS ; IDENTIFICATION ; PERSPECTIVES
Language英语
Funding ProjectNational Key R&D Program of China[2017YFA0505400] ; Innovation Fund of Hubei Collaborative Innovation Center for Bioactive Polypeptide Diabetes Drugs
Funding OrganizationNational Key R&D Program of China ; National Key R&D Program of China ; Innovation Fund of Hubei Collaborative Innovation Center for Bioactive Polypeptide Diabetes Drugs ; Innovation Fund of Hubei Collaborative Innovation Center for Bioactive Polypeptide Diabetes Drugs ; National Key R&D Program of China ; National Key R&D Program of China ; Innovation Fund of Hubei Collaborative Innovation Center for Bioactive Polypeptide Diabetes Drugs ; Innovation Fund of Hubei Collaborative Innovation Center for Bioactive Polypeptide Diabetes Drugs ; National Key R&D Program of China ; National Key R&D Program of China ; Innovation Fund of Hubei Collaborative Innovation Center for Bioactive Polypeptide Diabetes Drugs ; Innovation Fund of Hubei Collaborative Innovation Center for Bioactive Polypeptide Diabetes Drugs ; National Key R&D Program of China ; National Key R&D Program of China ; Innovation Fund of Hubei Collaborative Innovation Center for Bioactive Polypeptide Diabetes Drugs ; Innovation Fund of Hubei Collaborative Innovation Center for Bioactive Polypeptide Diabetes Drugs
WOS Research AreaPlant Sciences ; Pharmacology & Pharmacy ; Integrative & Complementary Medicine
WOS SubjectPlant Sciences ; Chemistry, Medicinal ; Integrative & Complementary Medicine ; Pharmacology & Pharmacy
WOS IDWOS:000523600200028
PublisherELSEVIER IRELAND LTD
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Document Type期刊论文
Identifierhttp://ir.apm.ac.cn/handle/112942/22383
Collection中国科学院武汉物理与数学研究所
Corresponding AuthorJiang, Haipeng; Zhang, Xu
Affiliation1.Wuchang Inst Technol, Sch Life Sci, Hubei Collaborat Innovat Ctr Bioact Polypeptide D, Wuhan 430223, Peoples R China
2.Wuhan Inst Technol, Sch Chem Engn & Pharm, Wuhan 430205, Peoples R China
3.Chinese Acad Sci, Wuhan Inst Phys & Math, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan 430071, Peoples R China
Recommended Citation
GB/T 7714
Wan, Hong,Tian, Yafeng,Jiang, Haipeng,et al. A NMR-based drug screening strategy for discovering active substances from herbal medicines: Using Radix Polygoni Multiflon as example[J]. JOURNAL OF ETHNOPHARMACOLOGY,2020,254:8.
APA Wan, Hong,Tian, Yafeng,Jiang, Haipeng,Zhang, Xu,&Ju, Xiulian.(2020).A NMR-based drug screening strategy for discovering active substances from herbal medicines: Using Radix Polygoni Multiflon as example.JOURNAL OF ETHNOPHARMACOLOGY,254,8.
MLA Wan, Hong,et al."A NMR-based drug screening strategy for discovering active substances from herbal medicines: Using Radix Polygoni Multiflon as example".JOURNAL OF ETHNOPHARMACOLOGY 254(2020):8.
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