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From ancient wisdom to modern science:Gut microbiota sheds light on property theory of traditional chinese medicine

Journal of Integrative medicine 2024年第4期22卷 413-444页

作者： Ya-nan Yang Jia-guo Zhan Ying Cao Chong-ming Wu School of chinese Materia Medica Tianjin University of Traditional Chinese MedicineTianjin 301617China Tianjin key laboratory of Therapeutic Substance of traditional chinese medicine Tianjin 301617China

The property theory of traditional chinese medicine(TCM) has been practiced for thousands of years,playing a pivotal role in the clinical application of TCM. While advancements in energy metabolism,chemical composition analysis, machine learning, ion current modeling, and supercritical fluid technology have provided valuable insight into how aspects of TCM property theory may be measured, these studies only capture specific aspects of TCM property theory in isolation, overlooking the holistic perspective inherent in TCM. To systematically investigate the modern interpretation of the TCM property theory from multidimensional perspectives, we consulted the chinese Pharmacopoeia(2020 edition) to compile a list of chinese materia medica(CMM). Then, using the Latin names of each CMM and gut microbiota as keywords, we searched the PubMed database for relevant research on gut microbiota and CMM. The regulatory patterns of different herbs on gut microbiota were then summarized from the perspectives of the four natures, the five flavors and the meridian tropism. In terms of the four natures, we found that warm-natured medicines promoted the colonization of specific beneficial bacteria,while cold-natured medicines boosted populations of some beneficial bacteria while suppressing pathogenic bacteria. Analysis of the five flavors revealed that sweet-flavored and bitter-flavored CMMs positively influenced beneficial bacteria while inhibiting harmful bacteria. CMMs with different meridian tropism exhibited complex modulative patterns on gut microbiota, with Jueyin(Liver) and Taiyin(Lung) meridian CMMs generally exerting a stronger effect. The gut microbiota may be a biological indicator for characterizing the TCM property theory, which not only enhances our understanding of classic TCM theory but also contributes to its scientific advancement and application in healthcare.

关键词： traditional chinese medicine Property theory Gut microbiota Four natures Five flavors Meridian tropism

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Rheum palmatum L. and Salvia miltiorrhiza Bge. Alleviates Acute Pancreatitis by Regulating Th17 Cell Differentiation: An Integrated Network Pharmacology Analysis, Molecular Dynamics Simulation and Experimental Validation

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chinese Journal of Integrative medicine 2024年第5期30卷 408-420页

作者： FENG Min-chao LUO Fang HUANG Liang-jiang LI Kai CHEN Zu-min LI Hui YAO Chun QIN Bai-jun CHEN Guo-zhong The First Clinical Medical College Guangxi University of Traditional Chinese MedicineNanning 530000China Guangxi key laboratory of Molecular biology of traditional chinese medicine and Preventive medicine Nanning 530000China Graduate School Guangxi University of Traditional Chinese MedicineNanning 530000China Department of Gastroenterology the First Affiliated Hospital of Guangxi University of Traditional Chinese MedicineNanning 530023China

Objective: To identify the core targets of Rheum palmatum L. and Salvia miltiorrhiza Bge.,(Dahuang-Danshen, DH-DS) and the mechanism underlying its therapeutic efficacy in acute pancreatitis(AP)using a network pharmacology approach and validate the findings in animal experiments. Methods: Network pharmacology analysis was used to elucidate the mechanisms underlying the therapeutic effects of DH-DS in AP. The reliability of the results was verified by molecular docking simulation and molecular dynamics ***, the results of network pharmacology enrichment analysis were verified by immunohistochemistry,Western blot analysis and real-time quantitative PCR, respectively. Results: Sixty-seven common targets of DH-DS in AP were identified and mitogen-activated protein kinase 3(MAPK3), Janus kinase 2(JAK2), signal transducer and activator of transcription 3(STAT3), protein c-Fos(FOS) were identified as core targets in the protein interaction(PPI) network analysis. Gene ontology analysis showed that cellular response to organic substance was the main functions of DH-DS in AP, and Kyoto Encyclopedia of Genes and Genomes analysis showed that the main pathway included Th17 cell differentiation. Molecular docking simulation confirmed that DH-DS binds with strong affinity to MAPK3, STAT3 and FOS. Molecular dynamics simulation revealed that FOS-isotanshinone Ⅱ and STAT3-dan-shexinkum d had good binding capacity. Animal experiments indicated that compared with the AP model group, DH-DS treatment effectively alleviated AP by inhibiting the expression of interleukin-1β, interleukin-6 and tumor necrosis factor-α, and blocking the activation of Th17 cell differentiation(P<0.01). Conclusion: DH-DS could inhibit the expression of inflammatory factors and protect pancreatic tissues,which would be functioned by regulating Th17 cell differentiation-related m RNA and protein expressions.

关键词： Rheum palmatum L. Salvia miltiorrhiza Bge. molecular docking simulation network pharmacology acute pancreatitis Th17 cell differentiation

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chemical Composition, Pharmacological Effects and Clinical Applications of Cinobufacini

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chinese Journal of Integrative medicine 2024年第4期30卷 366-378页

作者： ZUO Qian XU Ding-qiao YUE Shi-jun FU Rui-jia TANG Yu-ping key laboratory of Shaanxi Administration of traditional chinese medicine for TCM Compatibility Shaanxi University of Chinese MedicineXi'an(712046)China

chinese medicine cinobufacini is an extract from the dried skin of Bufo bufo gargarizans Cantor,with active ingredients of bufadienolides and indole *** further research and clinical applications,it is found that cinobufacini alone or in combination with other therapeutic methods can play an anti-tumor role by controlling proliferation of tumor cells,promoting apoptosis,inhibiting formation of tumor neovascularization,reversing multidrug resistance,and regulating immune response;it also has the functions of relieving cancer pain and regulating immune *** this paper,the chemical composition,pharmacological effects,clinical applications,and adverse reactions of cinobufacini are ***,the extraction of monomer components of cinobufacini,the relationship between different mechanisms,and the causes of adverse reactions need to be further ***,high-quality clinical studies should be conducted.

关键词： cinobufacini chemical composition chinese medicine pharmacological effect clinical application adverse effect

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Cucurbit[8]uril-regulated face-to-face dimerization assembly enhanced photosensitization and photocatalysis

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Science China Chemistry 2024年第5期67卷 1605-1612页

作者： Haigen Nie Die Hu Zhiyao Zeng Yan Fan Yaxin Zhai Xin-Long Ni key laboratory of chemical biology and traditional chinese medicine Ministry of Educational of ChinaKey Laboratory of the Assembly and Application of Organic Functional Molecules of Hunan ProvinceCollege of Chemistry and Chemical EngineeringHunan Normal UniversityChangsha 410081China key laboratory of Low-Dimensional Quantum Structures and Quantum Control of Ministry of Education Department of PhysicsHunan Normal UniversityChangsha 410081China

In water, N,N′-diarylpyridinium thiazolo[5,4-d]thiazole guests(G1–G3) were encapsulated by cucurbit[8]uril(Q[8]) to construct Q[8]_(3)/G_(2) complexes, in which the encapsulated G molecules exist as an exact face-to-face dimer. These complexation behaviors have been indicated by proton nuclear magnetic resonance(~1H NMR) spectroscopy and isothermal titration calorimetry(ITC),and have been confirmed by X-ray single crystal structural analysis of Q[8]_(3)/G2_(2). While free guests G1–G3 have no ability to sensitize singlet oxygen, they all become effective singlet oxygen sensitizers when complexed with Q[8]. By irradiation of white light, Q[8]_(3)/G_(2) complexes induced selective oxidation of aryl sulfide to aryl sulfoxide in good yields and selective oxidation of dimethyl sulfide(DMS) to dimethyl sulfoxide(DMSO) in excellent yields without over-oxidation to dimethyl sulfone(DMSO_(2))even for elongated irradiation. High-yield photo-oxidation of DMS to DMSO_(2) was only achieved by irradiation of blue light in the presence of Q[8]_(3)/G1_(2), which was also effective in photobleaching of Rhodamine B in water. The higher photo-oxidation power of Q[8]_(3)/G1_(2) has been ascribed to an additional generation of reactive oxygen species besides singlet oxygen.

关键词： host-guest interaction dimerization macrocycles photosensitization

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chemical constituents, pharmacological activities and quality evaluation methods of genus Hippocampus: A comprehensive review

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chinese Herbal medicines 2024年第3期16卷 344-357页

作者： Zhiyong Zhang Xiaoyang Zhang Xi Wang Xuting Guo Xinhao Yan Zheng Li Wenlong Li College of Pharmaceutical Engineering of traditional chinese medicine Tianjin University of Traditional Chinese Medicine State key laboratory of Component-based chinese medicine Tianjin University of Traditional Chinese Medicine Haihe laboratory of Modern chinese medicine

The genus Hippocampus is a multi-origin animal species with high medicinal and healthcare *** 57 species of Hippocampus spread worldwide,of which about 14 species can be used as medicine,showing anti-oxidation,anti-inflammation,anti-depressant,anti-hypertension,anti-prostatic hyperplasia,antivirus,anti-apoptotic,antifatigue,and so *** those pharmacological effects are mainly related to their active ingredients,including amino acids,abundant proteins(peptides and oligopeptides),fatty acids,nucleosides,steroids,and other small molecular *** main means of authentication of Hippocampus species are morphological identification,microscopic identification,thin layer chromatography method,fingerprint method and genomics *** review will provide useful insight for exploration,further study and precise medication of Hippocampus in the future.

关键词： chemical constituents Hippocampus pharmacological activities quality evaluation

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Targeting FAPα-positive lymph node metastatic tumor cells suppresses colorectal cancer metastasis

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Acta Pharmaceutica Sinica B 2024年第2期14卷 682-697页

作者： Shuran Fan Ming Qi Qi Qi Qun Miao Lijuan Deng Jinghua Pan Shenghui Qiu Jiashuai He Maohua Huang Xiaobo Li Jie Huang Jiapeng Lin Wenyu Lyu Weiqing Deng Yingyin He Xuesong Liu Lvfen Gao Dongmei Zhang Wencai Ye Minfeng Chen State key laboratory of Bioactive Molecules and Druggability Assessment Jinan UniversityGuangzhou 510632China Guangdong Province key laboratory of Pharmacodynamic Constituents of traditional chinese medicine and New Drugs Research College of PharmacyJinan UniversityGuangzhou 510632China School of medicine Jinan UniversityGuangzhou 510632China School of traditional chinese medicine Jinan UniversityGuangzhou 510630China The First Affiliated Hospital of Jinan University Guangzhou 510632China State key laboratory of chemical Oncogenomics Guangdong Provincial Key Laboratory of Chemical BiologyTsinghua Shenzhen International Graduate SchoolShenzhen 518055China

Lymphatic metastasis is the main metastatic route for colorectal cancer, which increases the risk of cancer recurrence and distant metastasis. The properties of the lymph node metastatic colorectal cancer(LNM-CRC) cells are poorly understood, and effective therapies are still lacking. Here, we found that hypoxia-induced fibroblast activation protein alpha(FAPα) expression in LNM-CRC cells. Gain-or loss-function experiments demonstrated that FAPα enhanced tumor cell migration, invasion, epithelial-mesenchymal transition, stemness, and lymphangiogenesis via activation of the STAT3 pathway. In addition, FAPα in tumor cells induced extracellular matrix remodeling and established an immunosuppressive environment via recruiting regulatory T cells, to promote colorectal cancer lymph node metastasis(CRCLNM). Z-GP-DAVLBH, a FAPα-activated prodrug, inhibited CRCLNM by targeting FAPα-positive LNM-CRC cells. Our study highlights the role of FAPα in tumor cells in CRCLNM and provides a potential therapeutic target and promising strategy for CRCLNM.

关键词： Lymphaticmetastasis Colorectal cancer Fibroblastactivation proteinα FAPα-activated prodrug Epithelial-mesenchymal

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Yemazhui(Herba Eupatorii Lindleyani)ameliorates lipopolysaccharide-induced acute lung injury via modulation of the toll-like receptor 4/nuclear factor kappa-B/nod-like receptor family pyrin domain-containing 3 protein signaling pathway and intestinal flor

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Journal of traditional chinese medicine 2024年第2期44卷 303-314页

作者： REN Li HAI Yang YANG Xue LUO Xianqin Chongqing key laboratory of traditional chinese medicine for Prevention and Cure of Metabolic Diseases College of Traditional Chinese MedicineChongqing Medical UniversityChongqing 400016China College of Basic medicine Chongqing Medical UniversityChongqing 400016China

OBJECTIVE:To investigate the impact of Yemazhui(Herba Eupatorii Lindleyani,HEL)against lipopolysaccharide(LPS)-induced acute lung injury(ALI)and explore its underlying mechanism in ***:The chemical constituents of HEL were analyzed by ultra-high performance liquid chromatographyquadrupole time-of-flight mass spectrometry ***,HEL was found to suppress LPS-induced ALI in ***-week-old male Sprague-Dawley rats were randomly divided into 6 groups:control,LPS,Dexamethasone(Dex),HEL low dose 6 g/kg(HEL-L),HEL medium dose 18 g/kg(HEL-M)and HEL high dose 54 g/kg(HEL-H)*** model rats were intratracheally injected with 3 mg/kg LPS to establish an ALI *** counts,lung wet/dry weight ratio,as well as myeloperoxidase(MPO)activity were determined followed by the detection with hematoxylin and eosin staining,enzyme linked immunosorbent assay,quantitative real time polymerase chain reaction,western blotting,immunohistochemistry,and ***,to explore the effect of HEL on ALI-mediated intestinal flora,we performed 16s rRNA sequencing analysis of intestinal ***:HEL attenuated LPS-induced inflammation in lung tissue and intestinal flora *** study indicated that HEL suppressed the lung coefficient and wet/dry weight ratio of LPS-induced ALI in rats,inhibited leukocytes exudation and MPO activity,and improved the pathological injury of lung *** addition,HEL reduced the expression of tumor necrosis factoralpha,interleukin-1beta(IL-1β)and interleukin-6(IL-6)in bronchoalveolar lavage fluid and serum,and inhibited nuclear displacement of nuclear factor kappa-B p65(NF-κBp65).And 18 g/kg HEL also reduced the expression levels of toll-like receptor 4(TLR4),myeloid differentiation factor 88,NF-κBp65,phosphorylated inhibitor kappa B alpha(phospho-IκBα),nod-like receptor family pyrin domain-containing 3 protein(NLRP3),IL-1β,and interleukin-18(IL-18)in lung tissue,and regulated intestinal flora disturban

关键词： Yemazhui(Herba Eupatorii Lindleyani) acute lung injury anti-inflammation toll-like receptor 4 nuclear factor kappa-B nod-like receptor family pyrin domain-containing 3 protein signal transduction gastrointestinal microbiome

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Acupuncture and moxibustion for irritable bowel syndrome:An umbrella systematic review

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Journal of Integrative medicine 2024年第1期22卷 22-31页

作者： Yue-ying Ma Zhou Hao Zi-yi Chen Yan-xi Shen Hui-rong Liu Huan-gan Wu Chun-hui Bao Shanghai Clinical Research Centre for Acupuncture and Moxibustion Yueyang Hospital of Integrated Chinese and Western MedicineShanghai University of Traditional Chinese MedicineShanghai 200437China key laboratory of Acupuncture and Immunological Effects Shanghai University of Traditional Chinese MedicineShanghai 200030China

BackgroundIrritable bowel syndrome(IBS)is a functional bowel disease characterized by abdominal pain or discomfort associated with altered bowel *** clinical studies have demonstrated the effectiveness of acupuncture and moxibustion for *** systematic reviews of acupuncture and moxibustion for IBS have been published in recent years,but their results are not entirely *** evaluate the methodological,reporting,and evidence quality of systematic reviews of acupuncture and moxibustion for *** strategySystematic reviews of acupuncture and moxibustion for IBS published before February 20,2023 were searched in eight databases:PubMed,Embase,Cochrane Library,Web of Science,China National Knowledge Infrastructure,Wanfang Data,VIP Database for chinese Technical Periodicals,and China biology *** keywords used for literature search were acupuncture,moxibustion,systematic review,meta-analysis,and irritable bowel *** criteriaSystematic reviews and meta-analyses of randomized controlled trials of acupuncture and moxibustion for IBS were *** extraction and analysisRelevant information was independently extracted by two *** A MeaSurement Tool to Assess systematic Reviews 2(AMSTAR 2),Preferred Reporting Items for Systematic Reviews and Meta-Analyses(PRISMA 2020),and Grading of Recommendations Assessment,Development and Evaluation(GRADE)were used to evaluate the methodological quality,reporting quality and evidence quality,*** total of 342 studies were retrieved and 15 systematic reviews were *** results of AMSTAR 2 showed low methodological quality in 2 studies and very low methodological quality in the remaining 13 studies,with main issues being failure to register a protocol,incomplete search strategy,not providing a list of excluded studies,incomplete consideration of the risk of bias in the included studies,and a failure to assess the publication *** results of

关键词： Irritable bowel syndrome Acupuncture Moxibustion Umbrella systematic review Systematic review

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Anti-inflammatory mechanism of the non-volatile ingredients performance liquid chromatography-heated electron spray ionization-high resolution mass spectroscope and cell metabolomics

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Journal of traditional chinese medicine 2024年第2期44卷 260-267页

作者： JING Wenguang LIN Xiaoyu LI Chu ZHAO Xiaoliang CHENG Xianlong WANG Penglong WEI Feng MA Shuangcheng Institute of Control of chinese traditional medicine and Ethnic medicine National Institutes for Food and Drug ControlBeijing 102629China School of traditional chinese medicine Beijing University of Chinese MedicineBeijing 102488China Beijing key laboratory of traditional chinese medicine Basic Research on Prevention and Treatment of Major Diseases Experimental Research CenterChina Academy of Chinese Medical SciencesBeijing 100700China

OBJECTIVE:To explore the anti-inflammatory components and mechanism of the non-volatile ingredients of ***:High performance liquid chromatographyheated electron spray ionization-high resolution mass spectroscope(HPLC-HESI-HRMS)was used to analyze the chemical constituents of the non-volatile ingredients of *** anti-inflammatory activity of ingredients was evaluated using lipopolysaccharide(LPS)induced RAW264.7 cell inflammation model,and the antiinflammatory mechanism was investigated using multivariate statistical analysis of cell ***:The non-volatile ingredients of patchouli were characterized by HPLC-HESI-HRMS,and 36 flavonoids and 18 other components were *** ingredients of patchouli not only had a good protective effect on the LPS-induced inflammation model of RAW264.7 cells,but also regulated the expression levels of arginine,L-leucine,cholesterol,fructose and sorbitol by down-regulating arginine metabolism,aminoacyl-tRNA biosynthesis,polyol/sorbitol pathway,so as to reduce inflammation and reduce cell ***:The non-volatile ingredients of patchouli had good anti-inflammatory effect and exerted its curative effect by regulating endogenous metabolic pathway to reduce inflammatory response.

关键词： Pogostemon non-volatile ingredients anti-inflammatory cell metabolomics

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Chalcone derivatives as novel,potent and selective inhibitors against human Notum:Structure–activity relationships and biological evaluations

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chinese chemical Letters 2024年第3期35卷 321-325页

作者： Jin-Hui Shi Bei Zhao Li-Lin Song Yu-Qing Song Meng-Ru Sun Tian Tian Hong-Yu Chen Yun-Qing Song Jian-Ming Sun Guang-Bo Ge Shanghai Frontiers Science Center of TCM chemical biology Institute of Interdisciplinary Integrative medicine Research Shanghai University of Traditional Chinese MedicineShanghai 201203China Dalian Engineering Research Center for Carbohydrate Agricultural Preparations Liaoning Provincial Key Laboratory of CarbohydratesDalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China Seventh People's Hospital of Shanghai University of traditional chinese medicine Shanghai 200137China

Human Notum(hNotum)inhibitors could be used for treating Wnt signalling-associated diseases including colorectal ***,two series of chalcone derivatives were designed and synthesized aiming to find selective and potent hNotum ***–activity relationship(SAR)studies showed that 2-methoxyl and 5-bromine substitutions on A-ring significantly enhanced anti-hNotum effect,while 4’-ethoxyl and 3’-alkyl substitutions on B-ring were beneficial for hNotum *** all tested chalcones,B11 displayed the most potent anti-Notum effect(IC_(50)=3.6 nmol/L),good selectivity,excellent chemical stability and suitable metabolic *** investigations showed that B11 acted as a competitive inhibitor of hNotum,while this agent(5μmol/L)significantly weaken the migration abilities of colorectal cancer ***,this study deciphers the SARs of chalcones as hNotum inhibitors and reports a novel and potent hNotum inhibitor with the anti-migration effect on colorectal cancer cells,which offers a promising lead compound to develop novel anti-cancer agents.

关键词： Human notum(hNotum) Chalcone Computer-assisted drug discovery Structure–activity relationship(SAR) Anti-colorectal cancer agent

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