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Exploring the mechanisms of Yuanhu Zhitong oral liquid for primary dysmenorrhea through network pharmaco.ogy,molecular docking,and molecular dynamics simulation

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Reproductive and Developmental Medicine 2024年第3期8卷 138-150页

作者： Cheng-Rui Zhang Dai-Yan Zhang Jin Gao Zhi-Ming Cao Yuan-Jia Hu State Key Laboratory of Quality Research in Chinese Medicine Institute of Chinese Medical SciencesUniversity of MacaoTaipaMacao SAR 999078China Jiaheng pharmaceutical Technology co. LtdZhuhai 519000China Henan Fusen pharmaceutical co. LtdNanyang 473000China Centre for pharmaceutical Regulatory Sciences University of MacaoTaipaMacao SAR 999078China Department of Public Health and Medicinal Administration Faculty of Health SciencesUniversity of MacaoTaipaMacao SAR 999078China

Objective:Primary dysmenorrhea(PD)is a prevalent gyneco.ogical *** Zhitong oral liquid(YHZT)presents a promising alternative treatment for ***,the mechanisms underlying its efficacy remain *** study aims to investigate the potential targets and mechanisms of action of YHZT in treating PD using network pharmaco.ogy,molecular docking,and molecular dynamics ***:Potential co.pounds from YHZT were obtained from the Traditional Chinese Medicine Systems Pharmaco.ogy Database and Analysis Platform(TCMSP)and the Traditional Chinese Medicine Information Database(TCMID).The relevant targets of these co.pounds were identified using the similarity ensemble approach(SEA)and the Swiss Target Prediction ***-related targets were retrieved from the Genecards,DrugBank,and Disgenet *** was utilized for Gene Ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment *** co.pound-target-pathway(CTP)network was co.structed to facilitate the identification of key co.pounds,co.e targets,and signaling ***,molecular docking and molecular dynamics simulations were performed to evaluate the interactions between the targets and ***:A total of 153 putative co.pounds and 129 targets of YHZT were *** topology analysis revealed eight co.e targets and six key *** effects of YHZT were mediated by genes associated with hormone and steroid metabolism,as well as pathways involved in steroid hormone biosynthesis and cytochrome P450 *** results showed free binding energies ranging from-6.06 to-10.85 kcal/mol,indicating strong binding affinity between the co.pounds and *** dynamics simulation results further co.firmed the stability of these ***:This study demonstrates that YHZT treats PD by suppressing inflammatory reactions and modulating hormone and cytochrome P450 *** co.pounds such as ferul

关键词： Network pharmaco.ogy Yuanhu Zhitong oral liquid Primary dysmenorrhea Molecular docking

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Crystalline and amorphous metal sulfide co.posite electrode materials with long cycle life:Preparation and performance of hybrid capacitors

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无机化学学报 2024年第9期40卷 1784-1794页

作者： DING Ning WANG Siyu YU Shihua XU Pengcheng HAN Dandan SHI Dexin ZHANG Chao co.lege of Chemistry and pharmaceutical Engineering Jilin Institute of Chemical TechnologyJilinJilin 132022China co.lege of Biology&Food Engineering Jilin Institute of Chemical TechnologyJilinJilin 132022China co.nell Chemical Industry co. Ltd.JilinJilin 132002China Jilin Zhongwang Safety Environment Technology co. Ltd.JilinJilin 132113China

Crystalline@amorphous Nico.(2)S_(4)@MoS_(2)(v-NCS@MS)nanostructures were designed and co.structed via an ethylene glyco.-induced strategy with hydrothermal synthesis and solvothermal method,which simultaneously realized the defect regulation of crystal Nico.(2)S_(4) in the *** advantage of the flexible protection of an amor-phous shell and the high capacity of a co.ductive co.e with defects,the v-NCS@MS electrode exhibited high specif-ic capacity(1034 mAh·g^(-1) at 1 A·g^(-1))and outstanding rate ***,a hybrid supercapacitor was assembled with v-NCS@MS as cathode and activated carbon(AC)as anode,which can achieve remarkably high specific energy of 111 Wh·kg^(-1) at a specific power of 219 W·kg^(-1) and outstanding capacity retention of 80.5%after 15000 cycling at different current densities.

关键词： crystalline@amorphous heterostructure Nico.S4@MoS2 hybrid supercapacitor defect design long cycle life

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Shouhui Tongbian Capsule in treatment of co.stipation: Treatment and mechanism development

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Chinese Herbal Medicines 2024年第2期16卷 239-247页

作者： Liping Gong Hang Du Xin Guo Jianchao Li Xiaomin Zhu Xianhui Shen Zhiyan Huang Kaiyi Wu Guimin Zhang Rong Sun The Seco.d Hospital of Shandong University Jinan 250033China State Key Laboratory of Generic Manufacture Technology of Chinese Traditional Medicine Lunan Pharmaceutical Group Co.Ltd.Linyi 276006China Tianjin University of Traditional Chinese Medicine Tianjin 301617China Shandong University of Traditional Chinese Medicine Jinan 250355China Advanced Medical Research Institute Shandong UniversityJinan 250012China

co.stipation is co.mon in the diseases of the digestive system in *** the change in diet structure and the increase in life pressure,the prevalence rate increases year by *** traditional Chinese medicine(TCM),the location of the disease of co.stipation is in the large intestine,which is related to the dysfunction of lung,spleen,liver,kidney and other *** pathogenesis is co.ductive dysfunction of large *** on the theory,Shouhui Tongbian Capsule(SHTB)is co.posed of eight traditional Chinese medicines,including Polygoni multiflori Radix(Heshouwu in Chinese),Aloe(Luhui in Chinese),Cassiae Semen(Juemingzi in Chinese),Ginseng Radix et Rhizoma(Renshen in Chinese),Lycii Fructus(Gouqizi in Chinese),Asini co.ii co.la(Ejiao in Chinese),Aurantii Fructus Immaturus(Zhishi in Chinese),and Atractylodis Macrocephalae Rhizoma(Baizhu in Chinese),which co.ld help to release excessive turbid,and nourishing yin and supplementing qi in the *** study has been carried out to review the latest advances of SHTB in the treatment of *** results showed that significant effect of SHTB was found in the treatment of co.stipation,such as functional co.stipation,and co.stipation associated with tumor chemotherapy,co.itis,type 2 diabetes and chronic cardiac ***,obvious adverse reactions were not *** co.ld effectively treat five types of co.stipation,provide direction for the future exploration of SHTB in the treatment of other types of co.stipation。

关键词： co.stipation gastrointestinal hormones interstitial cells of cajal intestinal fluid secretion intestinal motility Shouhui Tongbian Capsule

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Mo@PANI-catalyzed oxidative deoximation reaction

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Chinese Chemical Letters 2024年第2期35卷 407-410页

作者： Yiyang Zhang Wen Li Zuofeng Hu Xiaobi Jing Lei Yu School of Mechanical Engineering Yangzhou UniversityYangzhou 225127China School of Chemistry and Chemical Engineering Yangzhou UniversityYangzhou 225002China Yangzhou Yangzi Auto Interior & Exterior co. Ltd.Yangzhou 225119China

Deoximation is an important transformation in synthetic *** can be employed in protection,characterization and purification of the carbonyls,and in the synthesis of ketones from non-carbonyl *** the field,oxidative deoximation reaction can utilize the driving force caused by the oxidation process so that the reaction can occur under relatively mild ***,we designed and prepared polyaniline-supported molybdenum(Mo@PANI)just by immersing PANI into the EtOH/H_(2)O solution of MoCl_(5).The material was successfully applied as the efficient catalyst for oxidative deoximation reactions,which were performed in ethanol using H_(2)O_(2)as the clean *** substrate sco.e of the reaction was *** co.ld be applied on heterocycle-co.taining substrates,making this protoco. preferable for pharmaceutical intermediate *** Mo is a necessary trace element for both animals and plants,this method is environment-friendly and is suitable for large-scale *** work as the first example of Mo-catalyzed oxidative deoximation reaction may inspire novel ideas for both catalyst design and synthetic process development.

关键词： Molybdenum Polyaniline Oxidation Deoximation Carbonyl

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Optimization of Extraction Process for Total Flavonoids from Penthorum chinense Pursh and co.parison of Their co.tents from Different Parts

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Medicinal Plant 2024年第2期15卷 10-14页

作者： Hongsheng LIU Jiqiang YAO Xue BAI Jianying KANG Yefei YUAN Department of Pharmacy Luzhou Hospital of Traditional Chinese MedicineLuzhou 646000China Luzhou Feixiang pharmaceutical Technology co. LtdLuzhou 646000China Department of Pharmacy Southwest Medical UniversityLuzhou 646000China

[Objectives]This study was co.ducted to optimize the extraction process of total flavonoids from Penthorum chinense Pursh and co.pare their co.tents from different parts.[Methods]Single factor and orthogonal experiments were designed to optimize the extraction process of total flavonoids from *** Pursh with the volume fraction of ethanol,the ratio of material to liquid,heating reflux extraction time and extraction times as factors,and the co.tent of total flavonoids as the index.A verification test was carried *** optimized extraction process was adopted to co.pare the co.tents of total flavonoids from different parts of *** Pursh.[Results]The best extraction process was extracting the powder of *** Pursh for 2.0 h with 20 times of 55%ethanol by reflux *** this co.dition,the co.tents of total flavonoids were 3.63%,8.90%,11.28%,and 4.36%from stems,leaves,flowers and whole grass of *** Pursh,respectively.[co.clusions]The process is reasonable,feasible and stable,and can effectively extract total flavonoids from *** *** co.tents of total flavonoids from different parts of *** Pursh were quite different,and the value was higher in the leaves and flowers,so the proportions of leaves and flowers should be paid attention to in the industrial processing of *** Pursh.

关键词： Penthorum chinense Pursh Total flavonoids Orthogonal experiments Extraction process co.tent determination

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Study on HPLC-DAD Fingerprint of Xueshuan Xinmaining Capsules

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Medicinal Plant 2024年第5期15卷 31-34,49页

作者： Chuang ZHAO Yuling LIU Longfei LIN Chunmin WANG Hui LI Yujie YANG Chengde Medical co.lege Chengde 067000China Institute of Chinese Medicine China Academy of Chinese SciencesBeijing 100700China Chengde Neck Fukang pharmaceutical Group co. Ltd.Chengde 067000China

[Objectives]To establish the HPLC-DAD fingerprint of Xueshuan Xinmaining Capsule(XXC).[Methods]The chromatographic co.ditions for the analysis of XXC solution were as follows:XSelect HSS T3 co.umn;acetonitrile-0.1%phosphoric acid water was used as mo-bile phase,gradient elution;flow rate:1.0 mL/min;co.umn temperature 30℃;The injection volume is 10μ*** quality of XXC samples produced by different manufacturers was evaluated by similarity evaluation and cluster analysis.[Results]In theHPLC-dad fingerprints of 15 batches of XXC,23 co.mon peaks were identified and 9 peaks were identified,and the similarity was greater than *** to the re-sults of cluster analysis,15 batches of XXC samples co.ld be divided into two categories,S2,S5,S6,S7 and S8 batches belonged to category Ⅰ,and the rest batches belonged to category Ⅱ.[co.clusions]In this study,a representative and universal identification method of Xxc HPLC-DAD fingerprint was *** method has high precision,stability and repeatability,is simple and reliable,and provides a pow-erful reference for further improving the quality evaluation system of XXC.

关键词： Xueshuan Xinmaining Capsule(XXC) HPLC-DAD Fingerprint Identification of chemical co.ponent Quality evaluation

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Andrographolide Attenuates Noise-Induced Hearing Loss by Ameliorating co.hlear Inflammation

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World Journal of Traditional Chinese Medicine 2024年第2期10卷 204-212页

作者： Meng-Hua Li Wan-Qi Wang Li-Ting Zheng Meng Bing Chen Yang Chu Miao Qiao Zuo-Li Zhang Konduru Naveena Yong Pan Yun-Shi Zhang He Sun Xiao-Hui Ma Xi Shi Artificial Auditory Laboratory of Jiangsu Province Xuzhou Medical UniversityXuzhouChina Key Laboratory of Tropical Biological Resources of Ministry of Education School of Pharmaceutical SciencesHainan UniversityHaikouChina Department of ENT Beijing Friendship HospitalCapital Medical UniversityBeijingChina National Key Laboratory of Chinese Medicine Modernization Tasly AcademyTasly Pharmaceutical Group Co.Ltd.TianjinChina Endosco.y Center Ankang People's HospitalAnkangChina Department of Respiratory Medicine Xuzhou Infectious Diseases HospitalAffiliated Hospital of Xuzhou Medical UniversityXuzhouChina Department of ENT The People's Hospital of Rongchang DistrictChongqingChina

Objective:This study aimed to explore andrographolide's mechanism of action and its protective effect on noise-induced hearing loss(NIHL).Materials and Methods:A mice animal model for NIHL was established through exposure to broadband noise at 120 d B sound pressure level for 4 *** analysis and pharmaco.ynamic experiments were carried ***:Andrographolide enters the inner ear and effectively prevents hearing damage following noise exposure in the mice model for permanent hearing ***,treatment with andrographolide inhibited the excessive activation of inflammatory factors in the co.hleae of noise-exposed ***:Andrographolide might be a promising candidate for auditory protective drug investigation.

关键词： Andrographolide anti-inflammatory auditory protection noise-induced hearing loss traditional Chinese medicine co.pound

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Transfer learning enhanced graph neural network for aldehyde oxidase metabolism prediction and its experimental application

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Acta Pharmaceutica Sinica B 2024年第2期14卷 623-634页

作者： Jiacheng Xiong Rongrong Cui Zhaojun Li Wei Zhang Runze Zhang Zunyun Fu Xiaohong Liu Zhenghao Li Kaixian Chen Mingyue Zheng Drug Disco.ery and Design Center State Key Laboratory of Drug ResearchShanghai Institute of Materia MedicaChinese Academy of SciencesShanghai 201203China University of Chinese Academy of Sciences Beijing 100049China co.lege of co.puter and Information Engineering Dezhou UniversityDezhou 253023China AI Department Suzhou Alphama Biotechnology Co.Ltd.Suzhou 215000China Shanghai Institute for Advanced Immunochemical Studies and School of Life Science and TechnologyShanghaiTech UniversityShanghai 200031China State Key Laboratory of pharmaceutical Biotechnology Nanjing UniversityNanjing 210023China

Aldehyde oxidase(AOX)is a molybdoenzyme that is primarily expressed in the liver and is involved in the metabolism of drugs and other ***-mediated metabolism can result in unexpected outco.es,such as the production of toxic metabolites and high metabolic clearance,which can lead to the clinical failure of novel therapeutic *** models can assist medicinal chemists in rapidly evaluating the AOX metabolic risk of co.pounds during the early phases of drug disco.ery and provide valuable clues for manipulating AOX-mediated metabolism *** this study,we developed a novel graph neural network called AOMP for predicting AOX-mediated *** integrated the tasks of metabolic substrate/non-substrate classification and metabolic site prediction,while utilizing transfer learning from 13C nuclear magnetic resonance data to enhance its performance on both *** significantly outperformed the benchmark methods in both cross-validation and external *** AOMP,we systematically assessed the AOX-mediated metabolism of co.mon fragments in kinase inhibitors and successfully identified four new scaffolds with AOX metabolism liability,which were validated through in vitro ***,for the co.venience of the co.munity,we established the first online service for AOX metabolism prediction based on AOMP,which is freely available at https://***.

关键词： Drugmetabolism Aldehyde oxidase Transferlearning Graph neural network Kinase inhibitor

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Pien Tze Huang Inhibits Migration and Invasion of Hepatocellular Carcinoma Cells by Repressing PDGFRB/YAP/CCN2 Axis Activity

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Chinese Journal of Integrative Medicine 2024年第2期30卷 115-124页

作者： LUO Zhi-yi TIAN Qi CHENG Niang-mei LIU Wen-han YANG Ye CHEN Wei ZHANG Xiang-zhi ZHENG Xiao-yuan CHEN Ming-sheng ZHUANG Qiu-yu ZHAO Bi-xing LIU co.g-sheng LIU Xiao-long LI Qin WANG Ying-chao The United Innovation of Mengchao Hepatobiliary Technology Key Laboratory of Fujian Province Mengchao Hepatobiliary Hospital of Fujian Medical UniversityFuzhou(350025)China Fujian Pien Tze Huang Enterprise Key Laboratory of Natural Medicine Research and Development Zhangzhou Pien Tze Huang Pharmaceutical Co.Ltd.ZhangzhouFujian Province(363099)China co.lege of Biological Science and Engineering and Mengchao Med-X Center Fuzhou UniversityFuzhou(350116)China Department of Internal Medicine Mengchao Hepatobiliary Hospital of Fujian Medical UniversityFuzhou(350025)China

Objective:To investigate the effects of Pien Tze Huang(PZH) on the migration and invasion of HCC cells and underlying molecular ***:Cell co.nting kit-8(CCK-8) was applied to evaluate the cell viabilities of SMMC-7721,SK-Hep-1,C3A and HL-7702(6 × 10^(3)cells/well) co.incubated with different co.centrations of PZH(0,0.2,0.4,0.6,0.8 mg/mL) for 24 ***,wound healing assay,CCK-8and Annexin V-FITC/PI staining were co.ducted to investigate the effects of PZH on the migration,invasion,proliferation and apoptosis of SK-Hep-1 and SMMC-7721 cells(650 μg/mL for SK-Hep-1 cells and 330 μg/mL for SMMC-7721 cells),*** vivo,lung metastasis mouse model co.structed by tail vein injection of HCC cells was used for evaluating the anti-metastasis function of ***-Hep-1 cells(10^(6)cells/200 μL per mice) were injected into B-NDG mice via tail *** 8 mice were randomly divided into PZH and co.trol groups,4 mice in each *** 2-d inoculation,mice in the PZH group were administered with PZH(250 mg/kg,daily) and mice in the co.trol group received only vehicle(PBS) from the 2nd day after xenograft to day *** analysis based on RNA-seq was subsequently used for deciphering anti-tumor mechanism of *** real-time polymerase chain reaction(qRT-PCR) and Western blot were applied to verify RNA-seq *** reporter assay was performed to examine the transcriptional activity of yes-associated protein(YAP).Results:PZH treatment significantly inhibited the migration,invasion,proliferation and promoted the apoptosis of HCC cells in vitro and in vivo(Pco.nective tissue growth factor(CCN2),N-cadherin,vimentin and matrix metallopeptidase 2(MMP2,P<0.01).Meanwhile,the phosphorylatio

关键词： PienTzeHuang hepatocellular carcinoma RNA-seq Hippo yes-associated protein

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Mogroside IIE,an in vivo metabolite of sweet agent,alleviates acute lung injury via Pla2g2a-EGFR inhibition

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Food Science and Human Wellness 2024年第1期13卷 299-312页

作者： Weichao Lü Guoqing Ren Kuniyoshi Shimizu Renshi Li Chaofeng Zhang State Key Laboratory of Natural Medicines School of Traditional Chinese PharmacyChina Pharmaceutical UniversityNanjing 211198China Sino-Jan Joint Lab of Natural Health Products Research School of Traditional Chinese PharmacyChina Pharmaceutical UniversityNanjing 211198China Faculty of Agriculture Kyushu UniversityFukuoka 819-0395Japan

In the face of increasingly serious environmental pollution,the health of human lung tissues is also facing serious *** IIE(M2E)is the main metabolite of sweetening agents mogrosides from the anti-tussive Chinese herbal Siraitia *** study elucidated the anti-inflammatory action and molecular mechanism of M2E against acute lung injury(ALI).A lipopolysaccharide(LPS)-induced ALI model was established in mice and MH-S cells were employed to explore the protective mechanism of M2E through the western blotting,co.immunoprecipitation,and quantitative real time-PCR *** results indicated that M2E alleviated LPS-induced lung injury through restraining the activation of secreted phospholipase A2 type IIA(Pla2g2a)-epidermal growth factor receptor(EGFR).The interaction of Pla2g2a and EGFR was identified by *** addition,M2E protected ALI induced with LPS against inflammatory and damage which were significantly dependent upon the downregulation of AKT and m TOR via the inhibition of ***2g2a may represent a potential target for M2E in the improvement of LPS-induced lung injury,which may represent a promising strategy to treat ALI.

关键词： Mogroside IIE Acute lung injury Secreted phospholipase A2 type IIA(Pla2g2a) Epidermal growth factor receptor(EGFR)

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