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Exploring the molecular mechanism of Solanum nigrum L in breast cancer treatment through network pharmacology and molecular docking validation

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Pharmacology Discovery 2024年第3期4卷 1-16页

作者： Mei Zheng ju-min xie Hubei Key Laboratory of Renal Disease Occurrence and Intervention Hubei Polytechnic UniversityHuangshi 435003China

In 2020,breast cancer emerged as the leading type of cancer worldwide,surpassing lung cancer in the number of new *** high cost and frequent failure of current treatments due to drug resistance and other challenges underscore the urgent need for novel,affordable,efficient,and less toxic breast cancer therapies with fewer side *** study aims to investigate the molecular mechanisms by which Solanum Nigrum *** breast cancer,employing network pharmacology and molecular docking ***:The study identified the primary active compounds of Solanum Nigrum *** databases such as TCMSP,TCM-ID,NPASS,and *** of the compounds'targets was facilitated by the SwissADME website,while main breast cancer targets were sourced from the GeneCards,OMIM,and TTD *** identified drug-disease intersection targets were analyzed using the STRING platform to construct a protein interaction network,which was then visualized and refined to select hub targets using Cytoscape 3.9.0 *** Metascape database's MOCDE functional plugin was employed for identifying potential functional modules within the protein interaction ***,the DAVID database was utilized for GO and KEGG enrichment analyses of the intersection *** docking of key active compounds with core targets was performed using AutoDock Tools 1.5.7 ***,the GEPIA2.0 database was used for predicting overall survival curves of hub targets and conducting a pan-cancer ***:Eleven active compounds of Solanum Nigrum L.,including Diosgenin,Tigogenin,and Quercetin,were identified from traditional Chinese medicine *** discovered 113 targets common to both Solanum Nigrum *** breast *** Nigrum *** anti-breast cancer properties through interactions with 14 key targets,including SRC,PIK3R1,HSP90AA1,PIK3CA,AKT1,VEGFA,and *** interactions influence several critical signaling pathways,notably the cancer signaling pa

关键词： anti-cancer molecular docking network pharmacology Solanum Nigrum L

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COVID-19 pandemic amplified mortality rates among adolescents with bipolar disorder through family-related factors

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World Journal of Clinical Cases 2024年第11期12卷 1929-1935页

作者： Zhuo-Fan Ye Yi-Han Hong Jian-Lin Yang Meng-Qing Tan ju-min xie Zu-Cai Xu Department of Neurology The Affiliated Hospital of Zunyi Medical UniversityZunyi 563000Guizhou ProvinceChina Hubei Key Laboratory of Renal Disease Occurrence and Intervention Medical SchoolHubei Polytechnic UniversityHuangshi 435003Hubei ProvinceChina Psychological Children's Ward Mental Health Center of HuangshiHuangshi 435111Hubei ProvinceChina The Collaborative Innovation Center of Tissue Damage Repair and Regeneration Medicine Zunyi Medical UniversityZunyi 563000Guizhou ProvinceChina

BACKGROUND Recently,a growing number of adolescents have been afflicted with mental disorders,with annual morbidity rates on the *** trend has been exacerbated by the global coronavirus disease 2019(COVID-19)pandemic,leading to a surge in suicide and self-harm rates among this *** To investigate the impact of the COVID-19 pandemic on adolescent bipolar disorder(BD),along with the underlying factors contributing to heightened rates of suicide and self-harm among *** A comprehensive statistical analysis was conducted utilizing clinical interviews and self-reports obtained from patients or their *** criteria for BDs were based on the Diagnostic and statistical manual of mental disorders,international classification of diseases-11,and the National institute of mental health research domain *** analyses were performed using SPSS 26.0 software,with significance set at P<*** A cohort of 171 adolescents diagnosed with BD between January 1,2018,and December 31,2022,was included in the *** gender distribution was 2.8:1(female to male),with ages ranging from 11 to 18 years *** factors contributing to adolescent BDs included familial influences,academic stress,genetic predisposition and exposure to school-related ***,a significant increase in suicide attempts and self-harm incidents was observed among adolescents with BD during the COVID-19 *** analysis indicated that the pandemic exacerbated familial discord and heightened academic stress,thereby amplifying the prevalence of suicidal behavior and self-harm among *** The COVID-19 pandemic has exacerbated familial tensions and intensified the incidence of suicide and self-harm among adolescents diagnosed with *** study underscores the urgent need for societal,familial and educational support systems to prioritize the well-being of adolescents and offers valuable insights and guidelines

关键词： Adolescents Bipolar disorder COVID-19 Suicide Self-harm

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Exploring the therapeutic effects of Cortex Lycii on essential hypertension

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TMR Pharmacology Research 2023年第4期3卷 20-34页

作者： Xing-Yuan Chen ju-min xie Hubei Key Laboratory of Renal Disease Occurrence and Intervention Hubei Polytechnic UniversityHuangshi 435003China

Background:Essential hypertension affects over a billion people *** the absence of a definitive cure,current treatments primarily aim to manage blood pressure *** is a compelling need for antihypertensive medications that offer high effectiveness,low toxicity,and minimal side ***:This study seeks to investigate the antihypertensive properties of Cortex Lycii by employing network pharmacology and validating the findings through molecular ***:We utilized various platforms and databases related to traditional Chinese medicine to identify the active compounds within Cortex *** associated with hypertension were gathered from well-established disease-related *** targets were delineated using the ***,we conducted GO and KEGG analyses through the DAVID platform and visualized the resultant network with *** docking was carried out using Autodock Vina and ***:Our investigation revealed ten active compounds in Cortex Lycii that demonstrated correlation with 82 essential hypertension-associated *** shared targets were categorized into four distinct clusters,each with unique *** hub targets were singled out based on predefined selection *** analysis unveiled the participation of shared targets in various biological processes linked to *** analysis identified ten significant signaling pathways associated with hypertension *** docking analysis provided confirmation of the interaction between the selected hub targets and the active ***:Cortex Lycii,a traditional Chinese herb with a long history of use,exerts its antihypertensive effects through a combination of active compounds,involvement of multiple targets,regulation of various biological processes,and modulation of key signaling pathways.

关键词： Cortex Lycii essential hypertension molecular docking network pharmacology

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Investigating the molecular mechanism of Chelidonii Herba against liver cancer using network pharmacology and molecular docking validation

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Integrative Medicine Discovery 2024年第22期8卷 1-12页

作者： ming-Zhi Yang Zi-Xuan Yang Zhang Yu ju-min xie Hubei Key Laboratory of Renal Disease Occurrence and Intervention Medical SchoolHubei Polytechnic UniversityHuangshi 435003China

Background:The molecular mechanism of Chelidonii Herba in treating hepatocellular carcinoma was investigated using network pharmacology and molecular docking ***:The main active components of Chelidonii Herba were screened using the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform database,and the targets of these active ingredients were identified using the SwissTargetPrediction *** related to liver cancer were sourced from GeneCards,Therapeutic Targets Database,and Online Mendelian Inheritance in Man *** targets between the active components of Chelidonii Herba and liver cancer were determined using the jvenn online *** protein interaction network was analyzed via STRING database and visualized using Cytoscape *** targets were identified and further analyzed within the protein interaction *** Ontology and Kyoto Encyclopedia of Genes and Genomes enrichment analyses were conducted for the intersection targets using the DAVID database to correlate gene *** bubble diagrams for Gene Ontology enrichment analysis and circular diagrams for Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis were generated using CNSknowall and SangerBox online *** docking and visualization were performed using AutoDockTools 1.5.7 and PyMOL 2.5.7 software,*** survival and pan-cancer analysis of core targets were conducted using the GEPIA2 online ***:Twelve active components of Chelidonii Herba were identified through screening.A total of 103 intersection targets and 12 core targets were found between these active constituents of Chelidonii Herba and liver *** Herba may exert its effects on liver cancer through these 12 core *** signaling pathways are implicated,including chemical carcinogen-receptor activation,endocrine resistance,HIF-1 signaling pathway,and proteoglycans in ***

关键词： Chelidonii Herba liver cancer network pharmacology molecular docking

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Treatment of a patient with severe cerebral malaria during the COVID-19 pandemic in China:A case report

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World Journal of Clinical Cases 2024年第20期12卷 4419-4426页

作者： Yan-Fang Zhu Wen-Jing Xia Wei Liu ju-min xie Department of Critical Care Medicine Huangshi Hospital of TCM(Infectious Disease Hospital)Huangshi 435000Hubei ProvinceChina Hubei Key Laboratory of Renal Disease Occurrence and Intervention Medical SchoolHubei Polytechnic UniversityHuangshi 435003Hubei ProvinceChina

BACKGROUND On june 30,2021,China received certification from the World Health Organization for malaria ***,this certification does not signify the absence of malaria within *** to the increasing frequency of international exchanges and collaborations,the threat of imported malaria persists in ***,the prevention and control of imported malaria have become a primary focus for our country to maintain its malaria elimination *** SUMMARY Herein,we present a case report of a 53-year-old Chinese man who worked in Africa for nearly two *** was diagnosed with malaria in the Democratic Republic of the Congo between November 19 and November 23,*** receiving effective treatment with oral antimalarial drugs,his condition improved,allowing him to return to *** was later admitted to our hospital on January 12,2023,during the coronavirus disease 2019 pandemic in Huangshi,*** a thorough evaluation of the patient's symptoms,clinical signs,imaging and laboratory test results,and epidemiological data,he was rapidly diagnosed with severe cerebral *** patient underwent successful treatment through a series of intensive care unit *** The successful treatment of this imported case of severe cerebral malaria provides a valuable reference for managing patients with similar malaria infections and has significant clinical implications.

关键词： Pernicious malaria Severe cerebral malaria Imported patients Traditional Chinese medicine Angong niuhuang Pill Case report

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Exploring the anti-cancer effect of taraxasterol using network pharmacology, molecular docking and in vitro experimental validation

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TMR Pharmacology Research 2023年第2期3卷 1-15页

作者： Jian-Lin Yang Yi-Han Hong ju-min xie Hui Mao Shi-Nuan Fei Hubei Key Laboratory of Renal Disease Occurrence and Intervention School of MedicineHubei Polytechnic UniversityHuangshi 435003China Department of Dermatology Huangshi Central HospitalHuangshi 435000China Department of Pediatrics Huangshi Maternal and Child Health Care HospitalHuangshi 435003China

Taraxasterol(TS)is a naturally occurring pentacyclic triterpenoid extracted from the traditional Chinese herb Taraxacum *** studies have highlighted its significant roles in exhibiting anti-inflammatory,anti-oxidant,and liver protective *** the present study,the anti-cancer potential of TS against cervical cancer was investigated,employing network pharmacology techniques,molecular docking,and in vitro experimental *** exhibits its anticancer properties by modulating multiple targets,pathways,and biological *** vitro experiments demonstrated the potent inhibitory effects of TS on cancer cell growth and migration,while no significant impact on apoptosis was *** primary objective was to elucidate the anti-cancer potential of TS,which is a crucial lead compound in the treatment of cervical *** findings may serve as a basis for the development of novel anticancer therapeutics and medicine-based interventions for cervical cancer.

关键词： anti-cancer molecular docking network pharmacology taraxasterol

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Systematic Acupuncture Explains Acupuncture at Baihui(GV20) and Fengchi(GB20) Targeting the Inflammatory Response to Regulate Migraine

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Journal of Traditional Chinese Medicine 2025年

作者： min Yu ZHENG Meifeng SUN ju PENG Zetong CAO Zhixian HUANG Xiaohua Medical College of Acu-Moxi and Rehabilitation， Guangzhou University of Chinese Medicine Department of Rehabilitation Medicine， the Affiliated Panyu Central Hospital of Guangzhou Medical University

Objective: To take Baihui (GV20) and Fengchi (GB20) targeting inflammatory response to regulate migraine as an example to describe a new method for studying the mechanism of stimulating ***: The target information of Baihui (GV20) and Fengchi (GB20) was retrieved， and after intersection with migraine， Kyoto Encyclopedia of Genes and Genomes (KEGG)， Reactome， and UniProt Keywords were used for functional enrichment. After selecting the main pathway， rats were selected and nitroglycerin was used for modeling， and the behavioral scores， inflammatory factors， heme oxygenase 1 (HMOX1)， protein kinase B (AKT1)， signal transducer and activator of transcription 3 (STAT3)， phosphorylated extracellular signal-regulated kinase 1/2 (P-ERK1/ERK2) and other states of the rats in the acupuncture， twisting， and electroacupuncture groups were ***: A total of 135 Baihui (GV20) targets and 27 Fengchi (GB20) targets were collected. A total of 73 target information were obtained after the intersection of these targets in migraine. These 73 targets have three main pathways: hypoxia-inducible factor 1 (HIF-1) signaling pathway， signaling by interleukins and inflammatory response. The main targets in the pathway were verified and found that interleukin-1 beta (IL-1β)， interleukin-6 (IL-6)， tumor necrosis factor-alpha (TNF-α) and HMOX1， AKT1， STAT3， P-ERK1/ERK2 can be regulated by Baihui (GV20) and Fengchi (GB20).Conclusion: Baihui (GV20) and Fengchi (GB20) can regulate migraine by regulating inflammatory factors and HMOX1， AKT1， STAT3， P-ERK1/ERK2 and other changes in HIF-1 signaling pathway， Signaling by Interleukins and Inflammatory response pathways. Based on systems biology and network pharmacology， and with the model of "acupoint-target-disease"， explore the research methods of systematic acupuncture and moxibustion. We believe this is a usable research direction for exploring the mechanism of acupuncture stimulation.

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De novo synthesis of atropisomeric benzofurans via Cu/SPDO complex catalyzed asymmetric formal [3 + 2] annulation

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Science China Chemistry 2025年第1期 174-180页

作者： Fan-Xiao Meng Xing-Yu Wang Ka Lu ju-Song Yang Fu-min Zhang Ai-jun Ma Bao Du Yong-Qiang Tu State Key Laboratory of Applied Organic Chemistry College of Chemistry and Chemical Engineering Lanzhou University School of Chemistry and Chemical Engineering Shanghai Jiao Tong University School of Biotechnology and Health Sciences Wuyi University

Herein, the de novo synthesis of atropisomeric benzofurans through the Cu/spirocyclic-pyrrolidine-oxazoline(SPDO) complex catalyze asymmetric formal [3 + 2] cycloaddition between quinones and ynamides is explored, producing a range of structurally diverse axially chiral benzofurans in satisfactory yields with good to excellent enantioselectivities. Furthermore, density functional theory calculations were applied to explain the possible reaction mechanism.

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施奈德结晶状角膜营养不良的分子基础与临床研究进展

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国际眼科杂志 2020年第5期20卷 818-821页

作者：陶俊峰黄玉迪张军林苏振宏解举民湖北理工学院医学院生化与分子教研室中国湖北省黄石市435003 武汉生物工程学院药学院中国湖北省武汉市430415

施奈德结晶状角膜营养不良(SCCD)是一种稀有的常染色体显性遗传病,其发病部位在眼角膜,伴有结晶状沉淀,双眼发病,家族遗传性,男女患病几率均等。临床研究揭示角膜结晶状混浊化成因是胆固醇、磷脂等脂质在角膜上皮下和基质中异常积累。S... 详细信息

施奈德结晶状角膜营养不良(SCCD)是一种稀有的常染色体显性遗传病,其发病部位在眼角膜,伴有结晶状沉淀,双眼发病,家族遗传性,男女患病几率均等。临床研究揭示角膜结晶状混浊化成因是胆固醇、磷脂等脂质在角膜上皮下和基质中异常积累。SCCD的发生与UBIAD1基因突变后脂质代谢异常有关,但是致病的分子机制未知。本文综述了SCCD的发现发展历史、发病分子基础与临床研究,为SCCD的诊疗以及致病分子机制的阐明提供参考。

关键词：施奈德结晶状角膜营养不良 UBIAD1 临床研究

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SCCD的发病机理及其致病基因UBIAD1的功能研究进展

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国际眼科杂志 2020年第6期20卷 981-986页

作者：苏振宏黄玉迪张军林陶俊峰袁超解举民湖北理工学院医学院生化与分子教研室中国湖北省黄石市435003 武汉生物工程学院药学院中国湖北省武汉市430415

施奈德结晶状角膜营养不良(SCCD)是一种稀有的常染色体显性遗传病,其发病的分子基础为UBIAD1基因突变,致病机理为UBIAD1基因突变后,UBIAD1蛋白构象发生改变而不能与GGpp化合物结合,导致UBIAD1-HMG CoA还原酶复合体无法分离,HMG CoA还原... 详细信息

施奈德结晶状角膜营养不良(SCCD)是一种稀有的常染色体显性遗传病,其发病的分子基础为UBIAD1基因突变,致病机理为UBIAD1基因突变后,UBIAD1蛋白构象发生改变而不能与GGpp化合物结合,导致UBIAD1-HMG CoA还原酶复合体无法分离,HMG CoA还原酶不能从内质网膜解离至细胞质被蛋白酶体识别和降解,从而导致胆固醇和非甾醇类异戊二烯化合物在细胞中合成并积累。本文综述了SCCD的临床表现、分子基础及其致病基因UBIAD1的功能,以期为SCCD的分子诊断和治疗提供参考,为阐明UBIAD1基因的功能奠定基础。

关键词：施奈德结晶状角膜营养不良致病机理 UBIAD1 脂质代谢遗传病

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