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

作　　者：Mei Zheng Ju-Min Xie 

机构地区：[1]Hubei Key Laboratory of Renal Disease Occurrence and Intervention,Hubei Polytechnic University,Huangshi 435003,China

出　　处：《Pharmacology Discovery》2024年第3期1-16,共16页

基　　金：supported by Local special projects in major health of Hubei Provincial Science and Technology Department(2022BCE054);Key scientific research projects of Hubei polytechnic University(23xjz08A);Hubei polytechnic University Huangshi Daye Lake high-tech Zone University Science Park joint open fund project(23xjz04AK).

摘　　要：In 2020,breast cancer emerged as the leading type of cancer worldwide,surpassing lung cancer in the number of new cases.The 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 effects.This study aims to investigate the molecular mechanisms by which Solanum Nigrum L.counters breast cancer,employing network pharmacology and molecular docking methods.Methods:The study identified the primary active compounds of Solanum Nigrum L.using databases such as TCMSP,TCM-ID,NPASS,and BATMAN.Prediction of the compounds'targets was facilitated by the SwissADME website,while main breast cancer targets were sourced from the GeneCards,OMIM,and TTD databases.The 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 software.The Metascape database's MOCDE functional plugin was employed for identifying potential functional modules within the protein interaction network.Further,the DAVID database was utilized for GO and KEGG enrichment analyses of the intersection targets.Molecular docking of key active compounds with core targets was performed using AutoDock Tools 1.5.7 software.Lastly,the GEPIA2.0 database was used for predicting overall survival curves of hub targets and conducting a pan-cancer analysis.Results:Eleven active compounds of Solanum Nigrum L.,including Diosgenin,Tigogenin,and Quercetin,were identified from traditional Chinese medicine databases.We discovered 113 targets common to both Solanum Nigrum L.and breast cancer.Solanum Nigrum L.exhibits anti-breast cancer properties through interactions with 14 key targets,including SRC,PIK3R1,HSP90AA1,PIK3CA,AKT1,VEGFA,and ESR1.These interactions influence several critical signaling pathways,notably the cancer signaling pathway,PI3K-Akt signaling pathway,Ras signaling p

关 键 词：ANTI-CANCER molecular docking network pharmacology Solanum Nigrum L 

分 类 号：R73[医药卫生—肿瘤]