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Study on the Mechanism of Action of Glyasperin A in the Treatment of Atherosclerosis Based on Network Pharmacology and Molecular Docking

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Agricultural Biotechnology 2024年第2期13卷 53-57页

作者： Na li Xiang PU Yihui CHAI Yuqi YANG lailai li Guizhou University of Traditional Chinese Medicine Guiyang 550025China

[Objectives] This study was conducted to investigate the mechanism of action of glyasperin A in the treatment of atherosclerosis using a network pharmacology approach. [Methods] Targets related to atherosclerosis were searched in GeneCards database. An active ingredient-disease-target network was constructed by Cytoscape 3.7.1. A target protein interaction network was constructed by String database. Gene Ontology (GO) enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analysis were performed on the DAVID database. [Results] Glyasperin A acted on 36 atherosclerosis-related targets, and the biofunctional and pathway enrichment analyses showed that it was mainly involved in response to xenobiotic stimulus, drug transport across blood-brain barrier, lipid oxidation, barrier, and lipid oxidation, etc. The results showed that glyasperin A acted on 36 atherosclerosis-related targets. The biofunctional and pathway enrichment analyses showed that it was mainly involved in response to xenobiotic stimulus, drug transport across blood-brain barrier, lipid oxidation, positive regulation of protein localization to nucleus, and hepoxilin biosynthetic process, and it played an anti-fatigue role through signal pathways such as serotonergic synapse, efferocytosis, arachidonic acid metabolism, chemical carcinogenesis-receptor activation and platelet activation. [Conclusions] Glyasperin A has multi-target and multi-pathway effects in the treatment of atherosclerosis. This study provides reference for further research on glyasperin A in the treatment of atherosclerosis.

关键词： Glyasperin A Atherosclerosis Network pharmacology Mechanism of action

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Exploring the Mechanism of Action of Glyasperin A in Intervening Menopause Based on Network Pharmacology and Molecular Docking Technology

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Medicinal Plant 2024年第3期15卷 4-8页

作者： Na li Shunhuan CHEN Xiang PU Yihui CHAI Yuqi YANG lailai li Guizhou University of Traditional Chinese Medicine Guiyang 550025China

[Objectives]To investigate the mechanism of action of glyasperin A(GAA)in intervening menopause using network pharmacology and molecular docking technology.[Methods]All target names of the active ingredients were screened using TCMSP,3D model molecules converted into SMILES online tool,Swiss target prediction and literature *** relevant target genes corresponding to menopause were identified using the Genecards *** 2.1.0 was then used to generate the corresponding Venn ***,the protein-protein interaction(PPI)network was constructed using Cytoscape 3.9.1 *** core targets that were screened underwent enrichment and analysis using the Gene Ontology(GO)biological process and KEGG pathways with the assistance of the DAVID database and *** molecular docking was then verified using AutoDock and Pymol software on the core targets.[Results]This study screened 100 target genes of active *** the PPI network,ESR1 and AKT1 were found to have a higher *** GO and KEGG enrichment analyses revealed that the biological processes primarily involved platelet activation,regulation of circadian rhythms,and regulation of mRNA *** signalling pathways included hepatitis B,cytotoxicity,and gastric *** molecular docking results indicated that the key active ingredients and proteins bound well,as evidenced by their small binding energies.[Conclusions]Using a systematic network pharmacology approach,this study predicts the basic pharmacological effects and potential mechanisms of GAA in intervening menopause,which provides a foundation for further research on its pharmacological mechanisms.

关键词： Network pharmacology Molecular docking Menopause Glyasperin A

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Therapeutic Effects and Potential Mechanisms of Glyasperin A against Myocardial Ischemia Based on Network Pharmacology and Molecular Docking

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Asian Agricultural Research 2024年第5期16卷 25-28页

作者： Na li Shunhuan CHEN Xiang PU Yihui CHAI Yuqi YANG lailai li Guizhou University of Traditional Chinese Medicine Guiyang 550025China

[Objectives]To explore the therapeutic effects and potential mechanisms of Glyasperin A(GAA)on myocardial ischemia(MI)based on network pharmacology and molecular docking.[Methods]The molecular structure of GAA was downloaded from Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP),and all targets of GAA were predicted by converting 3D model molecules into SMILES online tool and Swiss target *** database and DisGeNET database were used to find the targets related to MI,and then Venny 2.1.0 was used to generate the corresponding Wayne diagram,and then Cytoscape 3.9.1 software was used to construct the protein-protein interaction(PPI)*** the help of DAVID database and Microbiology,the selected core targets were enriched and analyzed by gene ontology(GO),biological process(BP),and Kyoto Encyclopedia of Genes and Genomes(KEGG),and then the molecular docking between GAA and core targets was verified by AutoDock and Pymol software.[Results]A total of 1883 MI targets were screened,and in the protein-protein interaction network,AKT1,PTGS2,PPARG,ESR1,GSK3B were the proteins with higher *** ontology and KEEG enrichment analysis showed that the biological processes involved mainly included inflammatory response,negative regulation of gene expression,and response to exogenous *** pathways mainly include IL-17 signaling pathway,HIF-1 signaling pathway,and so *** results of molecular docking showed that the binding energy of GAA and core protein was less than-5 Kcal/mol in four *** indicated that GAA with good binding had a certain therapeutic effect on myocardial ischemia.[Conclusions]Based on the systematic network pharmacology method,this study predicts the basic pharmacological effects and potential mechanisms of GAA in the treatment of MI,and reveals that GAA may treat MI through multiple targets and signaling *** is expected to provide a basis for further study of its phar

关键词： Network pharmacology Molecular docking Glyasperin A(GAA) Myocardial ischemia(MI)

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Molybdenum Concentration and the Risk of Spontaneous Preterm Birth: A Nested Case-Control Study — Beijing Municipality, China, 2018–2020

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China CDC weekly 2024年第13期6卷 261-266,I0005,I0006页

作者： Junhua Huang Wei Zheng Aili Wang Weiling Han Junxi Chen Hang An lailai Yan Zhiwen li Guanghui li Division of Endocrinology and Metabolism Department of ObstetricsBeijing Obstetrics and Gynecology HospitalCapital Medical University.Beijing Maternal and Child Health Care HospitalBeijingChina Department of Obstetrics and Gynecology Beijing Luhe HospitalCapital Medical UniversityBeijingChina Institute of Reproductive and Child Health National Health Commission Key Laboratory of Reproductive HealthPeking UniversityBeijingChina Department of Epidemiology and Biostatistics School of Public HealthPeking UniversityBeijingChina Department of Laboratorial Science and Technology School of Public HealthPeking UniversityBeijingChina

What is already known about this topic?The level of molybdenum(Mo)in a mother’s urine has been linked to the growth rate of the fetus and the blood pressure levels in *** is added by this report?We evaluated the variations in maternal plasma Mo concentrations throughout pregnancy and their potential association with the risk of spontaneous preterm birth(SPB).What are the implications for public health practice?Future research must determine the Mo levels in pregnant women across various regions in ***,particular attention needs to be given to the potential increase in Mo concentration throughout pregnancy and its possible adverse impacts on the health of both the mother and the fetus.

关键词： mother urine pregnancy

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Study on the Mechanism of Pseudostellariae Radix in Regulating Angiogenesis Based on Network Pharmacology and a Dual-screening System

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Agricultural Biotechnology 2023年第5期12卷 98-103,113页

作者： Na li Yihui CHAI Yuqi YANG Xiang PU Guo FENG Sibu MA lailai li Guizhou University of Traditional Chinese Medicine Guiyang 550025China

[Objectives]This study was conducted to clarify the action mechanism of Pseudostellariae Radix in regulating angiogenesis by using network pharmacology and a dual-screening system,and to provide a basis for its clinical treatment of cardiovascular diseases.[Methods]The TCMSP database was used for preliminary screening to obtain the active compounds of Pseudostellariae Radix and the protein targets of its *** and OMIM databases were used to search for targets related to *** 3.9.1 was used to construct a drug-target network and protein interaction network of Pseudostellariae Radix in *** GO enrichment analysis and KEGG pathway analysis of the targets of Pseudostellariae Radix in angiogenesis were carried out on Metascape *** effects of the screened active compounds were verified using a dual-screening system.[Results]Six active components of Pseudostellariae Radix,luteolin,acetin,beta-sitosterol,linarin,schottenol and 1-monolinolein,were screened by TCMSP database;and the six active components were predicted with 78 common target proteins related to angiogenesis,of which 19 were core *** Radix mainly intervened in angiogenesis through domain specific binding,ubiquitin-like protein ligase binding,kinase binding and other molecular functions to regulate biological processes such as membrane microdomain,plasma membrane raft and *** results of KEGG enrichment indicated that pathways in cancer,lipid and atherosclerosis,hepatitis B,apoptosis,toxoplasmosis and other key pathways might be the mechanism for the intervention of *** results of the dual-screening system showed that luteolin,acacetin,beta-sitosterol and linarin protected HUVECs and promoted zebrafish angiogenesis.[Conclusions]This study preliminarily demonstrated that luteolin,acacetin,beta-sitosterol and linarin could intervene in angiogenesis through multiple targets and multiple pathways,providing ideas and a scienti

关键词： Pseudostellariae Radix Angiogenesis Network pharmacology Dual-screening system

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Association between Exposure of Rare Earth Elements and Outcomes of In Vitro Fertilization-Embryo Transfer in Beijing

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Biomedical and Environmental Sciences 2024年第8期37卷 876-886页

作者： Yutong Wang Jing li Shirong Xu Shengli lin Zhenchen Hou linlin Wang Yali Huang Yue Sun Wei Guo lailai Yan Ying Wang Chan Tian State Key Laboratory of Female Fertility Promotion Center for Reproductive MedicineDepartment of Obstetrics and Gynecology Peking University Third HospitalBeijing 100191China Department of Medical Genetics Peking UniversityBeijing 100191China National Clinical Research Center for Obstetrics and Gynecology Peking University Third HospitalBeijing 100191China Key Laboratory of Assisted Reproduction(Peking University) Ministry of EducationBeijing 100191China Beijing Key Laboratory of Reproductive Endocrinology and Assisted Reproductive Technology Beijing 100191China Central Laboratory of School of Public Health Peking UniversityBeijing 100191China School of Basic Medical Sciences Peking UniversityBeijing 100191China

Objective The study aimed to investigate the impact of rare earth elements(REEs)exposure on pregnancy outcomes of in vitro fertilization-embryo transfer(IVF-ET)by analyzing samples from *** A total of 141 couples were *** and follicular fluid from the wives and semen plasma from the husbands,were analyzed for REEs using inductively coupled plasma mass spectrometry(ICP-MS).Spearman's correlation coefficients and the Mann–Whitney U test were used to assess correlations and compare REE concentrations among three types of samples,*** models were utilized to estimate the individual REE effect on IVF-ET outcomes,while BKMR and WQS models explored the mixture of REE interaction effects on IVF-ET *** Higher La concentration in semen(median 0.089 ng/mL,P=0.03)was associated with a lower fertilization ***,this effect was not observed after artificial selection intervention through intracytoplasmic sperm injection(ICSI)(P=0.27).In semen,the REEs mixture did not exhibit any significant association with clinical *** Our study revealed a potential association between high La exposure in semen and a decline in fertilization rate,but not clinical pregnancy *** is the first to report REEs concentrations in follicular fluid with La,Ce,Pr,and Nd found at significantly lower concentrations than in serum,suggesting that these four REEs may not accumulate in the female reproductive ***,at the current exposure levels,mixed REEs exposure did not exhibit reproductive toxicity.

关键词： Rare earth elements In vitro fertilization Pregnancy outcomes Mixture exposure analysis

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Study on the Molecular Mechanism of Danggui Buxue Decoction in Intervention of Perimenopausal Syndrome Based on Network Pharmacology and Molecular Docking

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Agricultural Biotechnology 2023年第6期12卷 1-5页

作者： Na li Shunhuan CHEN Xiang PU Yihui CHAI Yuqi YANG lailai li Guizhou University of Traditional Chinese Medicine Guiyang 550025China

[Objectives]This study was conducted to explore the intervention mechanism of Danggui Buxue Decoction in perimenopausal syndrome based on network pharmacology and molecular docking.[Methods]The chemical components and targets of Danggui Buxue Decoction were acquired through the TCMSP database,and the main targets of perimenopausal syndrome were obtained through the GeneCards *** component targets and disease targets were intersected,and combining with active components and Chinese herbs in the decoction,a traditional Chinese medicine-component-target network was constructed using Cytoscape 3.7.1 *** STRING platform was employed for protein-protein interaction *** DAVID analysis platform was used to conduct target GO and KEGG enrichment analysis,so as to predict the action mechanism Danggui Buxue ***,an active component-disease target-signal pathway network diagram was constructed.[Results]Twenty two components in Danggui Buxue Decoction related to perimenopausal syndrome and 120 corresponding targets were obtained,including active components such as 1,7-dihydroxy-3,9-dimquercetin and kaempferol,and key targets such as TNF,ESR1 and *** results of GO analysis and KEEG analysis indicated that Danggui Buxue Decoction might regulate the transcription of RNA polymerase II promoter,DNA templating,gene expression,signal transduction,hypoxia response and other biological processes by regulating multiple signal pathways such as chemical carcinogenesis-receptor activation,cancer pathways,lipid and atherosclerosis,tryptophan metabolism,malaria,steroid hormone biosynthesis and chemical carcinogenesis-DNA adduct.[Conclusions]Danggui Buxue Decoction intervenes in perimenopausal syndrome through multiple components,targets and pathways,providing a basis for elucidating the intervention mechanism of Danggui Buxue Decoction and expanding its clinical application.

关键词： Danggui Buxue Decoction Perimenopausal syndrome Network pharmacology Molecular docking

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Protective Effect and Molecular Mechanism of Shui People's Classic Prescription Jipei Dilong Ointment on Osteoarthritis in Rats

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Medicinal Plant 2023年第5期14卷 57-64页

作者： lailai li Baoying HUA Shiyun YE Yihui CHAI Haotian WANG Jinghua RUAN Xiang PU liyan ZHANG Sibu MA Guizhou University of Traditional Chinese Medicine Guiyang 550025China The First Affiliated Hospital of Guizhou University of Traditional Chinese Medicine Guiyang 550001China

[Objectives]To explore the protective effect and molecular mechanism of Shui People s Classic Prescription Jipei Dilong Ointment on knee osteoarthritis in rats.[Methods]72 SPF male SD rats were divided into control group,model group,Jipei Dilong Ointment high,medium and low dose groups,and positive drug Diclofenac group,with 12 rats in each *** the control group,all other groups were injected with 0.2 mL of 2%papain and 0.3%L-cysteine mixture into knee joint cavity to establish osteoarthritis model,while the control group was injected with the same amount of normal *** Lequesne MG score was used to determine the success of the *** successful modeling,external administration was given for 4 *** histopathological changes in articular cartilage and synovium were observed by HE staining;the levels of TNF-α,IL-1βand COX-2 in serum were detected by EliSA,and the relative expression of MMP-9 and TIMP-1 mRNA in cartilage was detected by qRT-PCR;the relative expression of MMP-9,TIMP-1,TLR4,MyD88 and NF-κB in rat cartilage was detected by Western-blot.[Results]Compared with the model group,Jipei Dilong Ointment could significantly reduce the Lequesne MG score and Mankin s score of arthritic rats(Pliferation;reduce the expression of MMP-9 mRNA(Pling pathway and the ratio of MMP-9/TIMP-1.

关键词： Jipei Dilong Ointment Osteoarthritis(OA) Traditional Chinese medicine application

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Therapeutic Effect and Mechanism of Jipei Dilong Ointment on Acute Soft Tissue Injury in Rats

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Agricultural Biotechnology 2023年第5期12卷 35-42页

作者： Yihui CHAI Haotian WANG Shiyun YE lailai li Baoying HUA Jinghua RUAN Xiang PU liyan ZHANG Sibu MA Guizhou University of Traditional Chinese Medicine Guiyang 550025China First Affiliated Hospital of Guizhou University of Traditional Chinese Medicine Guiyang 550001China

[Objectives]This study was conducted to observe the therapeutic effect of Jipei Dilong Ointment on rats with acute soft tissue injury caused by heavy objects and to explore its action mechanism.[Methods]Thirty six rats were randomly divided into six groups(control group,model group,high-dose Jipei Dilong Ointment group(JP-H),medium-dose Jipei Dilong Ointment group(JP-M),low-dose Jipei Dilong Ointment group(JP-L)and diclofenac group).Except for the Control group,other groups were subjected to modeling of acute soft tissue injury by the weight impact *** administration was performed once a day for nine consecutive *** local appearance score and activity disorder score were determined after soft tissue injury in *** staining was used to detect the pathological changes of injured soft tissues in ***-PCR was used to detect the relative mRNA expressions of Bax,Bcl-2,MMP-9 and TIMP-1 in injured soft tissues of *** Blot was used to detect the protein expressions of MMP-9,TIMP-1,TLR4,MyD88 and NF-κB p65 in injured soft tissues of *** were statistically analyzed.[Results]Compared with the model group,Jipei Dilong Ointment could significantly improve the appearance symptoms such as swelling and ecchymosis in the injured area and the movement function of the affected limb(P0.05).The expression level of NF-κB p65 protein in each administration group was significantly decreased(P<0.01).The protein expression levels of TLR4 and MyD88 and the ratio of MMP-9/TIMP-1 protein expression level in each administration

关键词： Jipei Dilong Ointment Acute soft tissue injury NF-κB p65 TLR4 MyD88

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激光熔覆原位合成(Ti,Nb)C强化Ni45涂层的微观组织与耐磨性研究

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热加工工艺 2021年第8期50卷 81-85,91页

作者：李来来金头男符寒光孙淑婷北京工业大学材料科学与工程学院北京100124

通过激光熔覆技术在Cr12MoV模具钢上原位制备了(Ti,Nb)C增强Ni45复合涂层,研究了(Ti,Nb)C对涂层组织和性能的影响。利用X射线衍射仪(XRD)、扫描电子显微镜(SEM)、电子背散射衍射(EBSD)和透射电子显微镜(TEM)等分析了(Ti,Nb)C/Ni45涂层... 详细信息

通过激光熔覆技术在Cr12MoV模具钢上原位制备了(Ti,Nb)C增强Ni45复合涂层,研究了(Ti,Nb)C对涂层组织和性能的影响。利用X射线衍射仪(XRD)、扫描电子显微镜(SEM)、电子背散射衍射(EBSD)和透射电子显微镜(TEM)等分析了(Ti,Nb)C/Ni45涂层的组织和相组成。利用磨损实验机对涂层耐磨性进行了测试。结果表明:(Ti,Nb)C/Ni45涂层的相组成包括γ-Ni基体、正交晶系Ni3B、正交晶系CrB、正交晶系(Cr,Fe)7(C,B)3、立方晶系Cr23C6和立方晶系(Ti,Nb)C颗粒;Cr23C6主要分布在(Ti,Nb)C和γ-Ni基体之间的相界面附近。(Ti,Nb)C增强相颗粒的出现和碳化物相((Cr,Fe)7(C,B)3和Cr23C6)的增加使(Ti,Nb)C/Ni45涂层的耐磨性提高了约3.6倍。

关键词：激光熔覆镍基涂层原位合成(Ti,Nb)C 显微组织耐磨性

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