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

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 pathway,and EGFR signaling pathway.Survival analysis indicated that the aberrant expression of these 14 key targets significantly affects patient survival times.Furthermore,pan-cancer analysis highlighted marked differences in the expression patterns of these targets between breast cancer patients and control groups.Conclusion:Solanum Nigrum L.mediates its therapeutic impact on breast cancer through a comprehensive approach,targeting multiple components,targets,and pathways.