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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

Molecular regulation of the key specialized metabolism pathways in medicinal plants

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Journal of Integrative Plant Biology 2024年第3期66卷 510-531页

作者： Min Shi Siwei Zhang Zizhen Zheng Itay Maoz Lei Zhang Guoyin Kai Zhejiang Provincial International S&T Cooperation Base for Active Ingredients of Medicinal and Edible Plants and health Zhejiang Provincial Key TCM Laboratory for Chinese Resource Innovation and TransformationSchool of Pharmaceutical SciencesJinhua AcademyZhejiang Chinese Medical UniversityHangzhou 310053China Department of Postharvest Science Agricultural Research OrganizationVolcani CenterRishonLeZion 7505101Israel Department of Pharmaceutical Botany School of PharmacyNaval Medical UniversityShanghai 200433China

The basis of modern pharmacology is the human ability to exploit the production of specialized metabolites from medical plants,for example,terpenoids,alkaloids,and phenolic ***,in most cases,the availability of these valuable compounds is limited by cellular or organelle barriers or spatio-temporal accumulation patterns within different plant *** factors(TFs)regulate biosynthesis of these specialized metabolites by tightly controlling the expression of biosynthetic ***-edge technologies and/or combining multiple strategies and approaches have been applied to elucidate the role of *** this review,we focus on recent progress in the transcription regulation mechanism of representative high-value products and describe the transcriptional regulatory network,and future perspectives are discussed,which will help develop high-yield plant resources.

关键词： biosynthesis medicinal plants omics secondary metabolism transcription factors

Highly efficient discovery of the covalent Minhibitors from crude Pu-erh tea by integrating biochemical and chemoproteomic approaches

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Food Science and Human Wellness 2024年

作者： Guang-Hao Zhu Ya-Ni Zhang Sheng-Lan Qi Jian-Rong Xu Yuan Xiong Zhao-Qin Zhang Xi-Xiang Chen Yuan-Yuan Xie Xiao-Qing Guan Wei-Dong Zhang Wei Liu Guang-Bo Ge shanghai Frontiers Science center of tcm Chemical Biology， Institute of Interdisciplinary Integrative Medicine Research， shanghai University of Traditional Chinese Medicine Shuguang Hospital Affiliated to shanghai University of Traditional Chinese Medicine

The main proteases (Mpros) are hydrolases playing essential roles in the replication of β-coronaviruses including SARS-CoV-2. Herein， a highly efficient strategy was developed for discovering the Mproinactivators from crude plant extract integrating target-based biochemical assay and chemoproteomic approaches. Firstly， Pu-erh tea was found to potently suppress SARS-CoV-2 Mproin a time-dependent manner. Next， global chemical analysis coupling with peptide-modification profiling were used to identify the cysteine-modified constituents in Pu-erh tea. The results suggested that seven constituents in Pu-erh tea could modify SARS-CoV-2 Mpro， which turned out that epigallocatechin， gallocatechin and gallic acid were the most efficacious Mproinactivators. Further investigations demonstrated that epigallocatechin and gallocatechin could inactivate SARS-CoV-2 Mprovia blocking the formation of the homodimers. Collectively， this work proposed a novel and practical strategy for highly efficient discovery of time-dependent inhibitors of SARS-CoV-2 Mprofrom plant extracts， while three constituents in Pu-erh tea have emerged as robust SARS-CoV-2 Mproinactivators.

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Lactiplantibacillus plantarum AR113 alleviates microbiota dysbiosis of tongue coating and cerebral ischemia/reperfusion injury in rat

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Food Science and Human Wellness 2024年第4期13卷 2132-2140页

作者： Zhiqiang Xiong Gang Liu Ling Fang Xiuming Li Yongjun Xia Guangqiang Wang Xin Song Lianzhong Ai shanghai Engineering Research center of Food Microbiology School of Health Science and EngineeringUniversity of Shanghai for Science and TechnologyShanghai 200093China Department of Rehabilitation Huashan HospitalFudan UniversityShanghai 200040China Department of Rehabilitation Medicine Ruijin HospitalShanghai Jiao Tong University School of MedicineShanghai 200025China

Stroke is one of the leading causes of death and disability ***,information on stroke-related tongue coating microbiome(tcm)is limited,and whether tcm modulation could benefit for stroke prevention and rehabilitation is ***,tcm from stroke patients(SP)was characterized using molecular *** occurrence of stroke resulted in tcm dysbiosis with significantly reduced species richness and *** abundance of Prevotella,Leptotrichia,Actinomyces,Alloprevotella,Haemophilus,and TM7_[G-1]were greatly reduced,but common infection Streptococcus and Pseudomonas were remarkably ***,an antioxidative probiotic Lactiplantibacillus plantarum AR113 was used for tcm intervention in stroke rats with cerebral ischemia/reperfusion(I/R).AR113 partly restored I/R induced change of tcm and gut microbiota with significantly improved neurological deficit,relieved histopathologic change,increased activities of antioxidant enzymes,and decreased contents of oxidative stress ***,the gene expression of antioxidant-related proteins and apoptosis-related factors heme oxygenase-1(HO-1),superoxide dismutase(SOD),glutathione peroxidase(GSH-Px),nuclear factor erythroid 2-related factor 2(Nrf2),NAD(P)H:quinone oxidoreductase-1(NQO-1),and Bcl-2 was significantly increased,but cytochrome C,cleaved caspase-3,and Bax were markedly decreased in the brain by AR113 *** results suggested that AR113 could ameliorate cerebral I/R injury through antioxidation and anti-apoptosis pathways,and AR113 intervention of tcm may have the application potential for stroke prevention and control.

关键词： Stroke Cerebral ischemia/reperfusion Tongue coating Lactiplantibacillus plantarum AR113 Probiotic intervention

Guidelines for application of high-content screening in traditional Chinese medicine:concept,equipment,and troubleshooting

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Acupuncture and Herbal Medicine 2024年第1期4卷 1-15页

作者： Xuechun Chen Lu Li Mingxu Zhang Jian Yang ChunMing Lyu Yizhou Xu Yang Yang Yi Wang Pharmaceutical Informatics Institute College of Pharmaceutical SciencesZhejiang UniversityHangzhouChina Department of Cardiology Hangzhou First People’s HospitalHangzhouChina National Key Laboratory of Chinese Medicine Modernization Innovation Center of Yangtze River DeltaZhejiang UniversityJiaxingChina Molecular Devices shanghai Corporation ShanghaiChina National Key Laboratory of Chinese Medicine Modernization Tianjin University of Traditional Chinese MedicineTianjinChina Science and Technology Experiment center Shanghai University of Traditional Chinese MedicineShanghaiChina Engineering Research center of Innovative Anticancer Drugs Ministry of Educationhangzhou China

High-content screening(HCS)technology combines automated high-speed imaging hardware and single-cell quantitative *** can greatly accelerate data acquisition in cellular fluorescence imaging and is a powerful research technique in traditional Chinese medicine(tcm).An increasing number of laboratories and platforms,including tcm laboratories,have begun utilizing HCS ***,this technology is still in its infancy in tcm research and there is a lack of sufficient experience with the associated concepts,instrument configurations,and analysis *** improve the understanding of HCS among researchers in the field of tcm,this paper summarizes the concept of HCS,software and hardware configuration,the overall research process,as well as common problems and related solutions of HCS in tcm research based on our team’s previous research experience,providing several research examples and an outlook on future perspectives,aiming to provide a technical guide for HCS in tcm research.

关键词： High-content imaging High-content screening Traditional Chinese medicine

Efficacy of Huoxue Qianyang Qutan Recipe on essential hypertension:A randomized,double-blind,placebo-controlled trial

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Journal of Integrative Medicine 2024年第4期22卷 484-492页

作者： Jun Xie Yu-long Ma Ming-tai Gui Lei Yao Jian-hua Li Ming-zhu Wang Xun-jie Zhou Yi-fan Wang Ming-yi Zhao Hui Cao Bo Lu De-yu Fu Department of Cardiology Yueyang Hospital of Integrated Traditional Chinese and Western MedicineShanghai University of Traditional Chinese MedicineShanghai 200437China shanghai University of Traditional Chinese Medicine Shanghai 200120China

Background:Hypertension,a prevalent disease,is a significant risk factor for coronary heart *** Qianyang Qutan Recipe (HQQR),a traditional Chinese herbal remedy,has been used for treating hypertension over several ***:This study assesses HQQR’s efficacy for controlling blood pressure among patients with hypertension related to blood stasis,yang hyperactivity and ***,setting,participants and interventions:A randomized controlled trial was conducted at the Yueyang Hospital of Integrated Traditional Chinese and Western Medicine,shanghai University of Traditional Chinese Medicine,China,from July 2020 to June *** components of HQQR were identified using thin-layer chromatography and high-performance liquid *** aged18–80 years,exhibiting traditional Chinese medicine syndromes of blood stasis,yang hyperactivity or phlegm,along with grades 1 or 2 hypertension,were randomly categorized into two *** intervention group was given HQQR granules alongside conventional hypertension treatment,while the control group was given placebo granules in addition to conventional treatment for 12 *** outcome measures:The primary outcome was clinic blood pressure,whereas secondary outcomes included metabolic indices (e.g.,homeostasis model assessment of insulin resistance[HOMA-IR],total cholesterol[TC],low-density lipoprotein cholesterol and triglyceride),target organ damage indices (left ventricular mass index and urinary albumin creatinine ratio[UACR]) and inflammation indices(interleukin-6[IL-6]and high-sensitivity C-reactive protein[hs-CRP]).Results:HQQR’s primary components were identified as salvianolic acid B,emodin and ferulic *** the 216 participants (108 in each group),compared to the control,the intervention group exhibited significant improvements (P<0.001) in clinic systolic blood pressure ([136.24±7.63]vs[130.06±8.50]mmHg),clinic diastolic blood pressure ([84.34±8.72]vs[80.46±6.05]mmHg),home systol

关键词： Huoxue Qianyang Qutan Recipe Hypertension Target organ damage Glycolipid metabolism Inflammatory Chinese herbal compound

Efficacy and safety of Huzhang Granule,a compound Chinese herbal medicine,for acute gouty arthritis:A double-blind,randomized controlled trial

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Journal of Integrative Medicine 2024年第3期22卷 270-278页

作者： Hao Wang Si-ting Chen Xiao-jie Ding Le Kuai Liang Hua Xin Li Yi-fei Wang Ming Zhang Bin Li Rui-ping Wang Mi Zhou Department of Dermatology Yueyang Hospital of Integrated Traditional Chinese and Western MedicineShanghai University of Traditional Chinese MedicineShanghai 200437China Institute of Dermatology Shanghai Academy of Traditional Chinese MedicineShanghai 201203China Department of Dermatology the Affiliated Hospital of Jiangxi University of Chinese MedicineNanchang 330000Jiangxi ProvinceChina shanghai Skin Disease Hospital School of MedicineTongji UniversityShanghai 200443China Institute of Dermatology School of MedicineTongji UniversityShanghai 200443China

Background:Acute gouty arthritis(AGA)is an inflammatory joint disease with a high *** medical interventions,including nonsteroidal anti-inflammatory drugs,colchicine and glucocorticoids,can have serious adverse *** Granule(HZG),a compound Chinese herbal medicine,has been used to treat AGA for more than 30 years with satisfactory effects and no significant adverse ***,the efficacy and safety of HZG in AGA patients remains ***:The present investigation was designed to examine the efficacy and safety profile of HZG in managing AGA ***,setting,participants and interventions:The current study was conducted as a noninferiority,randomized controlled clinical trial on 180 eligible enrolled *** were randomly assigned into the HZG and etoricoxib *** were administered for 5 d,during which the HZG group received HZG and placebo etoricoxib,while the etoricoxib group received etoricoxib and placebo HZG in the same ratio(1:1).Main outcome measures:The primary outcome was pain experienced by the patient in the gout-afflicted joint from days 2 to 5 of the treatment *** pain level was measured via a visual analogue scale,ranging from 0 mm to 100 *** secondary outcomes comprised joint tenderness and swelling,reduction of inflammatory biomarkers,and the patient’s and investigator’s global evaluations of therapeutic ***:The mean reduction in pain was-51.22 mm(95%confidence interval[CI],[-53.42,-49.03]mm)for the HZG and-52.00 mm(95%CI,[-54.06,-49.94]mm)for the etoricoxib *** mean difference between the two groups was 0.78 mm(95%CI,[-2.25,3.81]mm).All additional efficacy endpoints,covering decreased inflammation and pain relief,yielded compelling proof of *** in the HZG group exhibited a comparatively lower rate of adverse events compared to those in the etoricoxib group(4.44%vs 13.33%;P≤0.05).Conclusion:HZG and etoricoxib groups demons

关键词： Acute gouty arthritis Huzhang Granule Randomized controlled trial Blind

New phenylbutenoids and terpene glycosides from Ginkgo biloba leaves

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Chinese Journal of Natural Medicines 2024年第2期22卷 161-170页

作者： SUN Zeshi LIN Shan WU Zhi-Li DONG Hong-Yuan XU Xi-Ke LI Hui-Liang WANG Jinxin School of Pharmacy Second Military Medical UniversityShanghai 200433China State Key Laboratory of New Drug and Pharmaceutical Process Shanghai Institute of Pharmaceutical IndustryChina State Institute of Pharmaceutical IndustryShanghai 201203China

Our continued works on the chemical constituents of Ginkgo biloba(***)leaves has led to the isolation of two novel phenylbutenoids(1,2),along with five previously unidentified terpene glycosides(3−7).Among them,compounds 1 and 2 represent unique(Z)-phenylbutenoids,3−6 are megastigmane glycosides,and 7 is identified as a rare bilobanone glycoside(Fig.1).This study marks the first reported isolation of phenylbutenoid and bilobanone glycoside from *** chemical structures of these compounds were elucidated through extensive spectroscopic analysis,including HR-ESI-MS and various 1D and 2D NMR ***,the absolute configurations of these molecules were determined using Mosher’s method,ECD experiments,and Cu-KαX-ray crystallographic analyses.

关键词： Ginkgo biloba Phenylbutenoid Megastigmane glycoside Bilobanone glycoside

Huangqi Guizhi Wuwu Decoction suppresses inflammation and bone destruction in collagen-induced arthritis mice

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Chinese Herbal Medicines 2024年第2期16卷 274-281页

作者： Jiamin Bao Yongjia Song Minghui Hang Hao Xu Qiang Li Pengyu Wang Tao Chen Mengxiong Xia Qi Shi Yongjun Wang Xiaoyun Wang Qianqian Liang School of Rehabilitation Science Shanghai University of Traditional Chinese MedicineShanghai 201203China Longhua Hospital Shanghai University of Traditional Chinese MedicineShanghai 200032China Spine Institute Shanghai University of Traditional Chinese MedicineShanghai 200032China Key Laboratory of Theory and Therapy of Muscles and Bones Ministry of EducationShanghai University of Traditional Chinese MedicineShanghai 201203China shanghai Research Institute of Acupuncture and Meridian Shanghai University of Traditional Chinese MedicineShanghai 200032China

Objective: Rheumatoid arthritis(RA) is a chronic inflammatory and destructive arthritis, characterized by inflammatory infiltration and bone destruction. Huangqi Guizhi Wuwu Decoction(HGWD) is traditional Chinese medicine, which has been applied in the treatment of RA in clinical. The aim of this study was to investigate the therapeutic effect of HGWD on collagen-induced arthritis(CIA) mouse ***: DBA/1J female mice were used to establish the collagen-induced arthritis(CIA) model. HGWD was administered intragastrically once a day for four weeks starting on the 22nd day after the first immunization. The body weight, hind paw thickness and clinical score were measured every five days. Gait analysis, histopathological staining, enzyme-linked immunosorbent assay(ELISA), ultrasound imaging and micro-computed tomography imaging were performed to determine the effects of HGWD treatment on inflammation and bone structure in this model. Moreover, Real-time PCR and Western blot analysis were used to detect inflammatory factors m RNA and protein levels after HGWD intervention in RAW264.7 ***: HGWD attenuated symptoms of arthritis, suppressed inflammatory synovium area and the serum levels of inflammatory factors, inhibited joint space enlargement in the knee and ankle joints,reduced numbers of osteoclasts, protected bone destruction, as well as improved motor *** decreased the expression of m RNA for inflammatory factors and the protein expression levels of p-NF-ΚB and ***: These results suggested that HGWD suppresses inflammation, attenuates bone erosion and maintains motor function in collagen-induced arthritis mice.

关键词： bone destruction collagen-induced arthritis Huangqi Guizhi Wuwu Decoction inflammation rheumatoid arthritis