Exploring the molecular mechanism of Corydalis yanhusuo against prostate cancer based on network pharmacology and molecular docking validation

Abstract

The molecular mechanism underlying Corydalis Yanhusuo’s therapeutic potential in prostate cancer (PCa) treatment was elucidated using network pharmacology and molecular docking. Nineteen active ingredients, 399 drug targets, 1790 disease targets and 143 intersection targets were identified. Ten core targets were screened from the protein-protein interaction network. Enrichment analysis revealed 133 GO terms and 114 KEGG pathways. Corydalis Yanhusuo may potentially treat prostate cancer through pathways such as the Rap1 signaling pathway, phospholipase D signaling pathway, Ras signaling pathway, VEGF signaling pathway and JAK-STAT signaling pathway. Significant differences in expression were observed for EGFR, PDGFRA, PIK3CA, PIK3CD, PIK3CG and PIK3R1. Molecular docking and dynamics simulation analysis showed low binding energy between active components and the six core genes of Corydalis Yanhusuo, indicating a favorable docking effect. This study shows that Corydalis Yanhusuo exhibits promise in prostate cancer treatment through a synergistic “multi-component-multi-target- multi-pathway” effect.

Keywords

Corydalis Yanhusuo / prostate cancer / network pharmacology / molecular mechanism / molecular docking

Author contribution

J. X conceived the study. Y. Z and J. L, investigated and analyzed the data. J. X supervised the study. J. X wrote and revised the manuscript. All authors read and agreed to publish the paper.

Funding

This study was supported by local special projects in major health of Hubei P+rovincial Science and Technology Department (2022BCE054), key scientific research projects of Hubei Polytechnic University (23xjz08A), and Hubei Polytechnic University · Huangshi Daye Lake high-tech Zone University Science Park Joint Open Fund Project (23xjz04AK).

Conflict of interest

The authors declare no conflict of interest.

Data availability

The processed data and raw data are freely serviced from the first and corresponding authors.

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