Network pharmacology and single-cell transcriptomic analysis with molecular docking to elucidate the potential compounds and targets of Sieb.et Zucc. for hepatocellular carcinoma.

BACKGROUND AND AIMS

Sieb.et Zucc. () and its active components have been clinically proven to have anti-hepatocellular carcinoma effects. However, the potential targets of for these effects have not yet been revealed.

METHODS

We used network pharmacology and single-cell transcriptomic analysis with molecular docking to elucidate the active components and targets of for hepatocellular carcinoma.

RESULTS

CDK1, ESR1, HSP90A11, and MAPK1 were shown to be the key targets of for hepatocellular carcinoma. was found to be likely correlated with the improved abnormal expression of CDK1 and ESR1 and the poor prognosis of HSP90AA1 and MAPK1. CDK1 was identified as the most potential anti-hepatocellular carcinoma target of . Among the active components of , physcion diglucoside was found to have the most potential to treat hepatocellular carcinoma by targeting CDK1.

CONCLUSION

Our study provides novel insights into the anti-hepatocellular carcinoma pharmacological effects of , which could serve as a scientific basis for its development as a medicinal resource and the targeting of CDK1 for hepatocellular carcinoma treatment.