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Exploring the molecular basis of Panax notoginseng mediated inhibition of cervical cancer through machine learning,
Shah Kamal1,2,3, Chen Qin1,2,3, Yanjuan Wang1,2,3
1School of Traditional Chinese Medicine, Faculty of Medicine, Yangzhou University, Yangzhou, Jiangsu 225009, PR China.
Motivation:
Cervical cancer remains a major global health challenge, particularly in low-resource settings where treatment efficacy is limited by drug resistance and toxicity. Although Panax notoginseng (Sanqi) has demonstrated anticancer activity, its molecular mechanisms against cervical cancer remain insufficiently understood.
Results:
An integrated transcriptomic and systems pharmacology approach was employed to investigate the therapeutic mechanisms of Panax notoginseng in cervical cancer. Transcriptomic analysis identified 533 overlapping differentially expressed genes associated with cell cycle regulation, DNA replication, cellular senescence, and p53 signaling. Network pharmacology revealed 291 overlapping targets between P. notoginseng compounds and cervical cancer-related genes. Protein-protein interaction analysis identified tumor necrosis factor, interleukin-6, proto-oncogene, non-receptor tyrosine kinase (SRC), TOP2A, and CDC45 as key hub genes involved in inflammation, apoptosis, and tumor progression. Molecular docking demonstrated strong binding affinities of ginsenoside Re, Panaxadiol, Daucosterol, and Stigmasterol toward core targets, while molecular dynamics simulations confirmed stable protein-ligand interactions. Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) analysis suggested comparable pharmacokinetic properties and low predicted toxicity.
Availability And Implementation:
The datasets analyzed in this study are publicly available through the Gene Expression Omnibus database under accession numbers GSE63514 and GSE9750. Additional data supporting the findings of this study are available within the article and its Supplementary Materials.
Insights
Panax notoginseng shows potential for treating cervical cancer by targeting key genes involved in cell cycle and inflammation. Its compounds exhibit favorable binding and pharmacokinetic properties, suggesting a viable therapeutic avenue.
Area of Science:
- Oncology
- Pharmacology
- Genomics
Background:
- Cervical cancer poses a significant global health burden, especially in resource-limited areas.
- Drug resistance and toxicity limit current treatment efficacy.
- The anticancer mechanisms of Panax notoginseng (Sanqi) in cervical cancer are not well understood.
Purpose of the Study:
- To elucidate the molecular mechanisms of Panax notoginseng in cervical cancer using an integrated approach.
- To identify key therapeutic targets and active compounds of Panax notoginseng.
Main Methods:
- Transcriptomic analysis to identify differentially expressed genes.
- Systems pharmacology and network analysis to predict drug-target interactions.
- Molecular docking and dynamics simulations for binding affinity assessment.
- ADMET analysis for pharmacokinetic and toxicity prediction.
Main Results:
- Identified 533 overlapping differentially expressed genes related to cell cycle, DNA replication, senescence, and p53 signaling.
- Revealed 291 overlapping targets between Panax notoginseng compounds and cervical cancer genes.
- Highlighted key hub genes including TNF, IL-6, SRC, TOP2A, and CDC45.
- Confirmed strong binding of specific compounds (Ginsenoside Re, Panaxadiol, Daucosterol, Stigmasterol) to core targets.
- ADMET analysis indicated favorable pharmacokinetic profiles and low predicted toxicity.
Conclusions:
- Panax notoginseng exhibits therapeutic potential against cervical cancer through modulation of cell cycle and inflammatory pathways.
- Specific compounds and molecular targets have been identified for further drug development.
- The integrated approach provides a comprehensive understanding of Sanqi's anticancer mechanisms.
