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Integrated network pharmacology and metabolomics to explore the mechanisms of Shenzao dripping pill against chronic myocardial ischemia

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Traditional Medicine Research 2024年第11期9卷 12-26页

作者： Jie-Hui Kuang Tao Hu Lu-Yong Zhang Yu-Feng Yao Ming-Hua Xian Shu-Mei Wang School of Chinese Materia Medica Guangdong Pharmaceutical UniversityGuangzhou 510006China Key Laboratory of Digital Quality evaluation of Chinese Materia Medica of state administration of Traditional Chinese Medicine Guangdong Pharmaceutical UniversityGuangzhou 510006China Engineering&Technology Research center for Chinese Materia Medica Quality of the Universities of Guangdong Province Guangdong Pharmaceutical UniversityGuangzhou 510006China Guangzhou Key Laboratory of Construction and Application of New drug Screening Model Systems Guangdong Pharmaceutical UniversityGuangzhou 510006China Traditional Chinese Medicine Resource Germplasm Bank Management center Yunfu 527500China.

Background:Shenzao dripping pill(SZDP)is empirically prescribed for treating cardiac ***,there is a lack of comprehensive knowledge regarding the underlying mechanisms contributing to its therapeutic *** objective of this study is to investigate the underlying mechanism of SZDP against chronic myocardial ischemia(CMI)in a rat ***:In this study,we utilized electrocardiographic and echocardiographic detection along with pathological tissue analysis to evaluate the efficacy of *** integration of network pharmacology and metabolomics was conducted to investigate the *** docking and molecular dynamics simulations were used to validate the binding energy between the compounds of SZDP and the associated ***:The results showed that SZDP was able to improve T wave voltage,reverse CMI abnormalities in ejection fraction and fractional shortening,and restore histopathological heart *** results indicated that disturbances of metabolic profile in CMI rats were partly corrected after SZDP administration,mainly affecting purine metabolism.13-Docosenamide may be the potential metabolic biomarker of the therapeutic application of SZDP for *** network pharmacology and metabolomics,thiopurine S-methyltransferase(TPMT),xanthine dehydrogenase/oxidase(XDH),bifunctional purine biosynthesis protein ATIC(ATIC),and cytochrome p4501A1(CYP1A1)were identified as possible targets of SZDP to exert therapeutic effects by enhancing the metabolic levels of L-Tryptophan,Deoxyribose 1-phosphate and Phosphoribosyl ***:SZDP has a therapeutic effect on CMI by regulating metabolite levels,acting on the targets of TMPT,XDH,ATIC,and CYP1A1,and reducing cardiomyocyte injury and myocardial fibrosis.

关键词： chronic myocardial ischemia metabolomics network pharmacology serum metabolites Shenzao dripping pill

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Crocus genome reveals the evolutionary origin of crocin biosynthesis

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Acta Pharmaceutica Sinica B 2024年第4期14卷 1878-1891页

作者： Zhichao Xu Shanshan Chen Yalin Wang Ya Tian Xiaotong Wang Tianyi Xin Zishan Li Xin Hua Shengnan Tan Wei Sun Xiangdong Pu Hui Yao Ranran Gao Jingyuan Song Key Lab of Chinese Medicine Resources Conservation State Administration of Traditional Chinese Medicine of the People's Republic of ChinaInstitute of Medicinal Plant DevelopmentChinese Academy of Medical Sciences&Peking Union Medical CollegeBeijing 100193China state Key Laboratory of Basis and New drug Development of Natural and Nuclear drugs Engineering Research Center of Chinese Medicine ResourceMinistry of EducationBeijing 100193China College of Life Science Northeast Forestry UniversityHarbin 150040China Key Laboratory of Beijing for Identification and Safety evaluation of Chinese Medicine China Academy of Chinese Medical SciencesInstitute of Chinese Materia MedicaBeijing 100700China Analysis and Testing center of Northeast Forestry University Harbin 150040China School of Pharmacy Anhui Medical UniversityInflammation and Immune Mediated Diseases Laboratory of Anhui ProvinceHefei 230032China

Crocus sativus (saffron) is a globally autumn-flowering plant, and its stigmas are the most expensive spice and valuable herb medicine. Crocus specialized metabolites, crocins, are biosynthesized in distant species, Gardenia (eudicot) and Crocus (monocot), and the evolution of crocin biosynthesis remains poorly understood. With the chromosome-level Crocus genome assembly, we revealed that two rounds of lineage-specific whole genome triplication occurred, contributing important roles in the production of carotenoids and apocarotenoids. According to the kingdom-wide identification, phylogenetic analysis, and functional assays of carotenoid cleavage dioxygenases (CCDs), we deduced that the duplication, site positive selection, and neofunctionalization of Crocus-specific CCD2 from CCD1 members are responsible for the crocin biosynthesis. In addition, site mutation of CsCCD2 revealed the key amino acids, including I143, L146, R161, E181, T259, and S292 related to the catalytic activity of zeaxanthin cleavage. Our study provides important insights into the origin and evolution of plant specialized metabolites, which are derived by duplication events of biosynthetic genes.

关键词： Crocus sativus WGT Crocin biosynthesis Carotenoids Apocarotenoids CCDs

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Mitigation of polycyclic aromatic hydrocarbons(PAHs)in roasted beef patties by cold plasma treatment and products quality evaluation

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food Science and Human Wellness 2024年第5期13卷 2993-3005页

作者： Yuke Hou Yangjian Hu Min Li Jiahui Nong Fengyuan Xie Yuhan Fan Jianhao Zhang Xianming Zeng Minyi Han Xinglian Xu Xia Wang Key Laboratory of Animal Products Processing Ministry of AgricultureKey Laboratory of Meat Processing and Quality ControlMinistry of EducationJiangsu Synergetic Innovation Center of Meat Production and ProcessingCollege of Food Science and TechnologyNanjing Agricultural UniversityNanjing 2100095China center for food and drug Safety Inspection of Maanshan Maanshan Administration for Market RegulationMaanshan 243000China Henan Key Laboratory of Cold Chain food Quality and Safety Control Zhengzhou University of Light IndustryZhengzhou 450001China Collaborative Innovation center for Modern Grain Circulation and Safety Key Laboratory of Grains and Oils Quality Control and ProcessingCollege of Food Science and EngineeringNanjing University of Finance and EconomicsNanjing 210023China

The cold plasma(CP)technique was applied to alleviate the contamination of polycyclic aromatic hydrocarbon(PAH)in this *** different CP treatments methods were implemented in the production of beef patties,to investigate their inhibition and degradation capacity on *** 5 different cooking oils and fats addition,the inhibition mechanism of in-package cold plasma(ICP)pretreatment was explored from the aspect of raw patties fatty acids composition *** results of principal component analysis showed that the first two principal components accounted for more than 80%of the total variation in the original data,indicating that the content of saturated fatty acids was significantly positively correlated with the formation of *** pretreatment inhibited the formation of PAHs by changing the composition of fatty acids,which showed that the total amount of polyunsaturated fatty acids decreased and the total amount of monounsaturated fatty acids *** discrimination tests demonstrated there were discernable differences between 2 CP treated samples and the controls,utilization of the ICP pretreatment in meat products processing was expected to achieve satisfying eating *** conclusion,CP treatment degraded PAHs through stepwise ring-opening oxidation in 2 reported pathways,the toxicity of PAHs contaminated products was alleviated after CP treatment.

关键词： Roasted beef Polycyclic aromatic hydrocarbons Cold plasma Mitigation mechanism Product quality evaluation

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Composition analysis of Compound Shenhua Tablet,a seven-herb Chinese medicine for IgA nephropathy:evaluation of analyte-capacity of the assays

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Chinese Journal of Natural Medicines 2024年第2期22卷 178-192页

作者： ZHANG Haiyan WANG Qiuyue WANG Jianan ZHANG Sichao JIA Weiwei HE Ning XIA Xiaoyan WANG Ting LAI Liyu LI Jiaying DU Jing OLALEYE Olajide E CHEN Xiangmei YANG Junling LI Chuan Graduate School Tianjin University of Traditional Chinese MedicineTianjin 301617China state Key Laboratory of drug Research Shanghai Institute of Materia MedicaChinese Academy of SciencesShanghai 201203China School of Pharmacy University of Chinese Academy of SciencesChinese Academy of SciencesBeijing 100049China Department of Nephrology First Medical Center of Chinese PLA General HospitalNephrology Institute of the Chinese People’s Liberation ArmyNational Key Laboratory of Kidney DiseasesNational Clinical Research Center for Kidney DiseasesBeijing Key Laboratory of Kidney Disease ResearchBeijing 100853China Zhongshan Institute for drug Discovery Zhongshan 528400China Haihe Laboratory of Modern Chinese Medicine Tianjin 301617China

Compound Shenhua Tablet,a medicine comprising seven herbs,is employed in treating IgA *** study aimed to meticulously analyze its chemical *** on a list of candidate compounds,identified through extensive literature review pertinent to the tablet’s herbal components,the composition analysis entailed the systematic identification,characterization,and quantification of the *** analyte-capacity of LC/ESI-MS-based and GC/EI-MS-based assays was *** identified and characterized constituents were quantified to determine their content levels and were ranked based on the constituents’daily doses.A total of 283 constituents,classified into 12 distinct categories,were identified and characterized in the Compound Shenhua *** constituents exhibited content levels of 1−10982μg·g^(−1),with daily doses of 0.01−395μmol·d^(−1).The predominant constituents,with daily doses of≥10μmol·d^(−1),include nine organic acids(citric acid,quinic acid,chlorogenic acid,cryptochlorogenic acid,gallic acid,neochlorogenic acid,isochlorogenic acid C,isochlorogenic acid B,and linoleic acid),five iridoids(specnuezhenide,nuezhenoside G13,nuezhenidic acid,secoxyloganin,and secologanoside),two monoterpene glycosides(paeoniflorin and albiflorin),a sesquiterpenoid(curzerenone),a triterpenoid(oleanolic acid),and a phenylethanoid(salidroside).Additionally,there were 83,126,and 55 constituents detected in the medicine with daily doses of 1–10,0.1–1,and 0.01–0.1μmol·d^(−1),*** combination of the LC/ESI-MS-based and GC/EI-MS-based assays demonstrated a complementary relationship in their analyte-capacity for detecting the constituents present in the *** comprehensive composition analysis establishes a solid foundation for further pharmacological research on Compound Shenhua Tablet and facilitates the quality evaluation of this complex herbal medicine.

关键词： Compound Shenhua Tablet Composition analysis Analyte-capacity

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Structure-based design,synthesis of novel inhibitors of Mycobacterium tuberculosis FabH as potential anti-tuberculosis agents

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Chinese Chemical Letters 2009年第9期20卷 1019-1022页

作者： Xue Hui Zhang Hong Yu Wu Zhong Li LiWang Song Li Beijing Institute of Pharmacology and Toxicology Beijing 100850 China drug evaluation center of state food and drug administration Beijing 100038 China

Mycobacterium tuberculosis FabH, an essential enzyme in mycolic acids biosynthetic pathway, is an attractive target for novel anti-tuberculosis agents. Structure-based design, synthesis of novel inhibitors of mtFabH was reported in this paper. A novel scaffold structure was designed, and 12 candidate compounds that displayed favorable binding with the active site were identified and synthesized. 2009 Song Li. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

关键词： Structure-based design Synthesis Enzyme inhibitor Mycobacterium tuberculosis FabH

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Risk factors of adverse drug reaction from non-steroidal anti-inflammatory drugs in Shanghai patients with arthropathy

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Acta Pharmacologica Sinica 2004年第3期25卷 103-111页

作者： Wen SHI2,Yong-ming WANG,Shao-li LI3,Min YAN3,Duan Li,Bin-yan CHEN,Neng-neng CHENG Department of Pharmacology,School of Pharmacy,Fudan University,Shanghai 200032 The center for drug Reevaluation and 3 The center for Adverse drug Reaction Monitoring,state food and drug administration,Beijing 100061,China Department of Pharmacology School of Pharmacy Fudan University The center for drug Reevaluation and The center for Adverse drug Reaction Monitoring State Food and Drug Administration Beijing 100061 China

AIM: The study was to screen the possible risk factors of adverse drug reaction (ADR) induced by non-steroidal anti-inflammatory drugs (NSAIDs) in Shanghai patients with arthropathy. METHODS: The subjects were ran- domly selected from a database of outpatients with arthropathy from 9 main hospitals in Shanghai. A door to door retrospective epidemiological survey was used to collect demographic information about the patients, both indi- vidual and familial. This included data on their medical histories, lifestyle and dietary habits, history of smoking and alcohol consumption, history of drug therapy, quality of life (QOL) prior to NSAIDs intake, history of NSAIDs therapy and its ADR events, etc. Descriptive statistical methods and univariate analysis were also used to identify possible risk factors for ADRs induced by NSAIDs. RESULTS: Of the 1002 patients surveyed, the average length of NSAIDs intake was 2 years. ADR incidence from different NSAIDs was high, in a range from 46.7 %-66.2 %. In general, the candidate risk factors for ADRs were different for each NSAID. Each of the candidate risk factors were defined and studied in order to evaluate its role in the determination of ADRs from NSAIDs. “Family history of ADRs caused by NSAIDs” was found to be a significant risk factor for the four commonly used NSAIDs: meloxicam, diclofenac, nimesulide, and nabumetone. CONCLUSION: A retrospective epidemiological survey was useful in detecting the risk factors for ADRs caused by NSAIDs. The study found that different NSAIDs might have different risk factors and that there is no single risk factor universally applicable to all NSAIDs.

关键词： non-steroidal anti-inflammatory drugs adverse drug reaction risk factors retrospective studies quality of life

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Recent advances of rodent models for alcoholic liver disease in evaluating healthy effects of food bioactive ingredients

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food Science and Human Wellness 2024年

作者： Xiaoting Yu Xuedi Zhang Lijuan Zhang Haitao Wang Mingqian Tan state Key Lab of Marine food Processing & Safety Control， Dalian Polytechnic University Academy of food Interdisciplinary Science， School of food Science and Technology， Dalian Polytechnic University National Engineering Research center of Seafood， Dalian Polytechnic University Engineering Research center of Seafood of Ministry of Education of China， Dalian Polytechnic University

The development of rodent models that accurately reflect the pathogenesis of alcoholic liver disease (ALD) in humans is crucial for evaluating the nutritional intervention of food bioactive ingredients in ALD. Although various models have been employed to establish ALD models over the past few decades， most successful cases are associated with high mortality rates， operational difficulties， and incompatibility formation mechanism compared to human ALD. However， the ALD models established by oral administration that simulate human drinking behavior often fail to induce significant liver damage. Therefore， it is imperative to explore simple and effective modes of oral administration for establishing ALD models consistent with the pathophysiological process of human ALD. Herein， we summarized the pathogenesis of ALD and discussed several issues related to construct ALD models with rodents (mainly mice and rats) by oral administration， including animal selection， animal feeding， alcohol intervention， and evaluation criteria. The purpose of this review is to provide a standardized and efficient formula for ALD modeling， so as to facilitate efficacy evaluation and mechanism analysis of food bioactive ingredients in ALD.

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The Role of Toxicology in Evaluating Marketing Applications for Prescription drug Products in the United states

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毒理学杂志 2005年第A3期19卷 169-170页

作者： Kenneth L Hastings P.H. D.A.B.T. Associate Director Office of New Drugs Center for Drug Evaluation and Research US Food and Drug Administration Associate Director Office of New Drugs Center for Drug Evaluation and Research US Food and Drug Administration Dr.Associate Director Office of New Drugs Center for Drug Evaluation and Research US Food and Drug Administration

In the United states, in order to market a prescription drug product studies need to be conducted to demonstrate safety and efficacy.

关键词：毒物学临床应用处方药代谢产物

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The Role of Toxicology in Evaluating Marketing Applications for Prescription drug Products in the United states

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毒理学杂志 2005年第S1期 169-170页

作者： Kenneth L Hastings,P.H.,D.A.B.T. Associate Director Office of New drugs center for drug evaluation and Research US food and drug administration Associate Director Office of New drugs center for drug evaluation and Research US food and drug administration Dr. Associate Director Office of New drugs center for drug evaluation and Research US food and drug administration

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The investigation of the stability of DNA-b-PPO vesicles formed through frame guided assembly

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Science China Chemistry 2018年第12期61卷 1568-1571页

作者： Bo Bian Yi-Yang Zhang Yuan-Chen Dong Fen Wu Chao Wang Shuo Wang Yun Xu Dong-Sheng Liu Department of Chemistry Tsinghua University College of Chemistry and Materials Engineering Wenzhou University center for Medical Device evaluation China Food and Drug Administration (CFDA)

Frame-guided assembly is a novel assembly method which can control the shape and size of vesicles accurately. It has been reported that the DNA-b-PPO vesicles could be stable over two weeks. In this communication we have introduced restriction sites of EcoR1 in the interior DNA scaffold to the formed vesicles in order to further study their stability. Dynamic light scattering(DLS), transmission electron microscope(TEM) and fluorescence spectrum were used to characterize the digestion process. The final results revealed that the vesicles were still stable even after two weeks cultivated with EcoR1, which suggests potential in future biological applications.

关键词： frame-guided assembly vesicles stability restriction sites EcoR1

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