Exploration potential mechanism of Xiaoyao Powder in treatment of liver cancer complicated with depression based on network pharmacology and molecular docking
Objective To explore the underlying mechanisms of Xiaoyao Powder in treatment of liver cancer with depression,utilizing the methodologies of network pharmacology and molecular docking.Methods The TCMSP database was used to obtain the effective active components and targets of Chinese herbal medicine by setting oral bioavailability(OB)＞30％and drug like(DL)＞0.18 as the screening conditions.The disease-related targets were obtained from the GeneCards database,and the disease targets and drug targets were intersected to obtain the common intersection targets,which were imported into the DAVID database for KEGG pathway and GO function enrichment analysis.Molecular docking was performed to verify the affinity of active ingredients and key targets.Results A comprehensive analysis yielded a total of 161 therapeutically active components and 661 targets associated with Xiaoyao Powder,with 11 204 disease targets in total.KEGG pathway enrichment was observed in AGE-RAGE signaling pathway,cancer-related targets,and HIF-1,among others.Molecular docking analysis revealed that the core component 3β-acetoxyatractylon exhibited favorable binding affinity towards the identified targets such as interleukin-6 and tumor necrosis factor.Conclusion Xiaoyao Powder primarily exerts its effects through 3β-acetoxyatractylon mediating targets like interleukin-6,tumor necrosis factor,and anti-apoptotic genes,regulating pathways such as AGE-RAGE and cancer.It plays roles in anti-inflammation,immune regulation,and promoting apoptosis,thereby improving the symptoms of liver cancer and depression.
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