亚洲传统医药 ›› 2024, Vol. 19 ›› Issue (5): 241-265.

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

  

  • 出版日期:2024-10-28 发布日期:2024-10-31

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

  • Online:2024-10-28 Published:2024-10-31

摘要:

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-targetmulti-pathway” effect.

关键词: color:#231F20, font-style:italic, ">Corydalis Yanhusuo, prostate cancer, network pharmacology, molecular mechanism, molecular docking

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-targetmulti-pathway” effect.

Key words: color:#231F20, font-style:italic, ">Corydalis Yanhusuo, prostate cancer, network pharmacology, molecular mechanism, molecular docking