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Unraveling the mechanism of malancao in treating ulcerative colitis:A multi-omics approach

World Journal of Clinical Cases 2024年第17期12卷 3105-3122页

作者： Xing-Long Huang Lu-Na Wu Qin Huang Yue Zhou Lei Qing Feng Xiong Hui-Ping Dong Tai-Min Zhou Kai-Li Wang Jue Liu Hospital of Traditional Chinese Medicine in Qijiang District Chongqing 401420China Qijiang Health Center for Maternal and Child Care Chongqing 401420China College of Pharmacy Guizhou University of Traditional Chinese MedicineGuiyang 550025Guizhou ProvinceChina

BACKGROUND malancao(MLC)is a traditional Chinese medicine with a long history of utilization in treating ulcerative colitis(UC).Nevertheless,the precise molecular mechanisms underlying its efficacy remain *** study leveraged ultrahigh-performance liquid chromatography coupled with exactive mass spectrometry(UHPLC-QE-MS),network pharmacology,molecular docking(MD),and gene microarray analysis to discern the bioactive constituents and the potential mechanism of action of MLC in UC *** To determine the ingredients related to MLC for treatment of UC using multiple databases to obtain potential targets for *** This research employs UHPLC-QE-MS for the identification of bioactive compounds present in MLC plant ***,the study integrates the identified MLC compound-related targets with publicly available databases to elucidate common drug disease ***,the R programming language is utilized to predict the central targets and molecular pathways that MLC may impact in the treatment of ***,MD are conducted using AutoDock Vina software to assess the affinity of bioactive components to the main targets and confirm their therapeutic *** Firstly,through a comprehensive analysis of UHPLC-QE-MS data and public database resources,we identified 146 drug-disease cross targets related to 11 bioactive *** Gene Ontology and Kyoto Encyclopedia of Genes and Genomes analysis highlighted that common disease drug targets are primarily involved in oxidative stress management,lipid metabolism,atherosclerosis,and other *** also affect AGE-RAGE and apoptosis signaling ***,by analyzing the differences in diseases,we identified key research *** core targets are related to 11 active substances,including active ingredients such as quercetin and ***,MD analysis revealed the stability of compound-protein binding,particularly between JUNLuteolin,JUN-Quercetin,HSP90A

关键词： malancao Ulcerative colitis Mass spectrum Network pharmacology Molecular docking

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