Network-pharmacology and molecular docking-based investigation of mechanism of Sophora flavescens on cancer and inflammation

作     者：Wenxuan Li Lijuan Deng Yuhe Lei Junshan Liu 

作者机构：School of Traditional Chinese MedicineSouthern Medical UniversityGuangzhou 510515P.R.China Formula pattern Research CenterSchool of Traditional Chinese MedicineJinan UniversityGuangzhou 510632P.R.China Department of PharmacyShenzhen Hospital of Guangzhou University of Chinese MedicineShenzhen518034P.R.China 

出 版 物：《TMR Modern Herbal Medicine》 (TMR现代中药)

年 卷 期：2020年第3卷第4期

页      面：178-191页

学科分类：1002[医学-临床医学] 100214[医学-肿瘤学] 10[医学] 

基　　金：This work was supported by the National Natural Science Foundation of China(81402801,81973544,81803790) the Guangdong Province Universities and Colleges Pearl River Scholar Funded Scheme(GDHVPS2018) the Young Elite Scientists Sponsorship Program by CACM(2019-QNRC2-C14) 

主　　题：Network-pharmacology Molecular docking Sophora flavescens Cancer Inflammation 

摘      要：Objective:In order to explore the systematical regulatory mechanism of Kushen(Sophora flavescens,SF)on inflammation and cancer,we analyzed inter-molecular interactions between herbal ingredients of SF and human inflammation and cancer through network-pharmacology and molecular docking-based ***:Firstly,ingredients and potential targets were obtained from Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform,GeneCards database,Therapeutic Targets Database and Online Mendelian Inheritance in Man ***,protein-protein interaction network and medicine-ingredient-target-disease network were established and analyzed via STRING and ***-dock was performed by ***,functional enrichment and pathway enrichment were achieved by Gene Ontology database and Kyoto Encyclopedia of Genes and Genomes ***:The results showed that 113 components of SF and 53 potential targets were related in the *** exerts anti-inflammatory and anti-cancer mechanism through key targets located in nucleus,such as JUN,MYC,RELA,NCOA,PPARG which may trigger the NF-κB pathway,the Bcl-2/Bax pathway and other pathways to effect DNA transcriptional ***:The study predicted the mechanism of SF on cancer and *** to the results,we suggest that the ingredients of SF effect on DNA bingding and transcription in nuclear receptors-like JUN,MYC,RELA,NCOA,*** receptors trigger several pathways including NF-κB pathway,the Bcl-2/Bax pathway and ***,it regulats inflammatory factors and cell proliferation,senescence and apoptosis.