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Determination and mechanism of Xiao-Ai Jie-Du decoction against diffuse large B-cell lymphoma: In silico and In vitro studies.

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العنوان: Determination and mechanism of Xiao-Ai Jie-Du decoction against diffuse large B-cell lymphoma: In silico and In vitro studies.
المؤلفون: Zhan XZ; Department of Hematology, Affiliated Hospital of Nanjing University of Chinese Medicine, Nanjing, 210029, China; The First Clinical College of Nanjing University of Chinese Medicine, Nanjing, 210023, China. Electronic address: 20210067@njucm.edu.cn., Wei TH; National and Local Collaborative Engineering Center of Chinese Medicinal Resources Industrialization and Formulae Innovative Medicine, Jiangsu Collaborative Innovation Center of Chinese Medicinal Resources Industrialization, Jiangsu Key Laboratory for High Technology Research of TCM Formulae, Nanjing University of Chinese Medicine, Nanjing, 210023, China. Electronic address: 20220896@njucm.edu.cn., Yin YQ; National and Local Collaborative Engineering Center of Chinese Medicinal Resources Industrialization and Formulae Innovative Medicine, Jiangsu Collaborative Innovation Center of Chinese Medicinal Resources Industrialization, Jiangsu Key Laboratory for High Technology Research of TCM Formulae, Nanjing University of Chinese Medicine, Nanjing, 210023, China. Electronic address: 15252500750@163.com., Xu JQ; National and Local Collaborative Engineering Center of Chinese Medicinal Resources Industrialization and Formulae Innovative Medicine, Jiangsu Collaborative Innovation Center of Chinese Medicinal Resources Industrialization, Jiangsu Key Laboratory for High Technology Research of TCM Formulae, Nanjing University of Chinese Medicine, Nanjing, 210023, China. Electronic address: xujianqiao020319@163.com., Yu H; Department of Hematology, Affiliated Hospital of Nanjing University of Chinese Medicine, Nanjing, 210029, China. Electronic address: yuhui80@outlook.com., Chen XL; Department of Hematology, Affiliated Hospital of Nanjing University of Chinese Medicine, Nanjing, 210029, China. Electronic address: cc_lily2008@163.com., Kong XT; Department of Hematology, Affiliated Hospital of Nanjing University of Chinese Medicine, Nanjing, 210029, China. Electronic address: kongxiangtu@njucm.edu.cn., Sun SL; National and Local Collaborative Engineering Center of Chinese Medicinal Resources Industrialization and Formulae Innovative Medicine, Jiangsu Collaborative Innovation Center of Chinese Medicinal Resources Industrialization, Jiangsu Key Laboratory for High Technology Research of TCM Formulae, Nanjing University of Chinese Medicine, Nanjing, 210023, China; State Key Laboratory of Natural Medicines, China Pharmaceutical University, Nanjing, 211198, China. Electronic address: ssun@njucm.edu.cn., Li NG; National and Local Collaborative Engineering Center of Chinese Medicinal Resources Industrialization and Formulae Innovative Medicine, Jiangsu Collaborative Innovation Center of Chinese Medicinal Resources Industrialization, Jiangsu Key Laboratory for High Technology Research of TCM Formulae, Nanjing University of Chinese Medicine, Nanjing, 210023, China. Electronic address: linianguang@njucm.edu.cn., Ni HW; Department of Hematology, Affiliated Hospital of Nanjing University of Chinese Medicine, Nanjing, 210029, China. Electronic address: fsyy00654@njucm.edu.cn.
المصدر: Journal of ethnopharmacology [J Ethnopharmacol] 2024 Jan 30; Vol. 319 (Pt 2), pp. 117271. Date of Electronic Publication: 2023 Oct 12.
نوع المنشور: Journal Article
اللغة: English
بيانات الدورية: Publisher: Elsevier Sequoia Country of Publication: Ireland NLM ID: 7903310 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1872-7573 (Electronic) Linking ISSN: 03788741 NLM ISO Abbreviation: J Ethnopharmacol Subsets: MEDLINE
أسماء مطبوعة: Publication: Limerick : Elsevier Sequoia
Original Publication: Lausanne, Elsevier Sequoia.
مواضيع طبية MeSH: Lymphoma, Large B-Cell, Diffuse*/drug therapy , Drugs, Chinese Herbal*/pharmacology , Drugs, Chinese Herbal*/therapeutic use, Humans ; Apoptosis ; Biological Assay ; Blotting, Western ; Computer Simulation ; Molecular Docking Simulation
مستخلص: Ethnopharmacological Relevance: Xiao-Ai Jie-Du decoction (XAJDD) has been used in clinical practice to treat diffuse large B-cell lymphoma (DLBCL); its prescriptions vary based on the pathogenesis of patients.
Aim of the Study: We aimed to determine the core formula of XAJDD and investigate its mechanism of action against DLBCL.
Materials and Methods: Apriori data mining of 187 clinical cases (including 421 Traditional Chinese Medicines, TCMs) was conducted to retrieve the core formula of XAJDD. Comprehensive in silico modeling was used to identify potential active components and corresponding targets. The potential targets of 16 compounds were identified based on network pharmacology using in silico modeling. Thereafter, experimental determination of the active compounds and their mechanism of action in treating DLBCL was performed using different assays (including CCK-8, Annexin V-FITC/PI double-staining, Western blot, and flow cytometry assays).
Results: The core formula of XAJDD included six herbs: Astragalus mongholicus Bunge (Huangqi, family: Fabaceae), Scutellaria barbata D. Don (Banzhilian, family: Lamiaceae), Prunella vulgaris L. (Xiakucao, family: Lamiaceae), Smilax glabra Roxb. (Tufuling, family Smilacaceae) and Fritillaria thunbergii Miq. (Dabei, family: Liliaceae), and Curcuma zanthorrhiza Roxb. (Ezhu, family: Zingiberaceae); Databases including 62 druggable compounds and 38 DLBCL-related structural targets were constructed; ∼0.3 million data points produced by computational modeling based on potential compounds and targets six components from XAJDD, including astibin, folic acid, baicalin, kaempferol, quercetin, and luteolin, significantly inhibited DLBCL cell proliferation, induced apoptosis, and suppressed the expression of key oncogenes.
Conclusion: This study provides an integrated strategy for determining the core formula of XAJDD and reveals the molecular mechanisms underlying the treatment of DLBCL, which were consistent with the principle of "monarch (Jun), minister (Chen), adjunctive (Zuo), and guide (Shi)", confirming that XAJDD may serve as a promising natural therapeutic agent against DLBCL.
Competing Interests: Declaration of competing interest The authors declare no competing financial interest.
(Copyright © 2023 Elsevier B.V. All rights reserved.)
فهرسة مساهمة: Keywords: Diffuse large B-cell lymphoma; Mechanism; Molecular modeling; Pharmacology; Xiao-Ai Jie-Du decoction
المشرفين على المادة: 0 (Drugs, Chinese Herbal)
تواريخ الأحداث: Date Created: 20231014 Date Completed: 20231127 Latest Revision: 20231127
رمز التحديث: 20231215
DOI: 10.1016/j.jep.2023.117271
PMID: 37838296
قاعدة البيانات: MEDLINE
الوصف
تدمد:1872-7573
DOI:10.1016/j.jep.2023.117271