Potential targets and mechanism of Xingxiao Pill for the treatment of lung cancer were analyzed based on network pharmacology and molecular docking

Objective: To analyze the potential targets and mechanism of Xingxiao Pill for the treatment of lung cancer based on network pharmacology and molecular docking, providing reference for the research and clinical development of Xingxiao Pill. Method: The main chemical constituents and their targets of Xingxiao Pill was obtained through BATMAN-TCM database. Effective compounds were screened based on SwissADME and their targets were predicted by SwissTargetPrediction. Main lung cancer targets were obtained and integrated through GeneCards, OMIM(OMIM-Gene-Map-Retrieval), TTD and DRUGBANK databases. The intersection targets of Xingxiao Pill for lung cancer were obtained by Venn. The String platform was used to obtain the intersection targets. The core targets of Xingxiao Pill for lung cancer were screened by BisoGenet3.0. The Metasacpe database was used to analyze the biological processes and pathways involved in intersection targets. Cytoscape3.7.2 software was used to construct the "active ingredients of Xingxiao Pill-targets-pathways" network. Finally, Autodock was used for molecular docking verification. Results: The core active components of Xingxiao Pill for the treatment of lung cancer were morin, testosterone, 17-Beta-Estradiol, alpha-Estradiol, muscone, commiferin, commisterone, octyl acetate, etc. The primary pathways mainly included PI3K/Akt, MTOR, MAPK signaling pathway and MicroRNAs in cancer, etc. It has been proved that the combination of testosterone and estradiol with AKT1, SIRT7 and MDM2 was stable and could be used as reference. Conclusion: This study preliminarily revealed the mechanism of Xingxiao Pill on treating lung cancer with multiple components, targets and pathways, providing some ideas and references for clinical application and basic research in the future.