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Molecular Docking and Single-Cell RNA-Seq Analysis Identify PTGS2 as a Key Target of Osthole in the Oral Squamous
Junyan Jing1, Yichen Xu2, Zhongyi Hu2
1Department of Oral Implantology, Nanjing Stomatological Hospital, Affiliated Hospital of Medical School, Research Institute of Stomatology, Nanjing University, Nanjing, 210008, China.
Introduction:
This study investigates the therapeutic effects of Osthole and elucidates its mechanisms in oral squamous cell carcinoma (OSCC).
Materials And Methods:
Differential expression analysis was performed, followed by nomogram construction, gene set enrichment analysis, and immune infiltration analysis. Molecular docking was conducted to evaluate binding interactions, and single-cell analysis was performed.
Results:
PTGS2 was identified as a key candidate capable of binding with Osthole. Immune infiltration analysis revealed elevated levels of activated inflammatory cells in OSCC. Single-cell analysis further showed high PTGS2 expression in macrophages and mast cells.
Discussion:
This study demonstrates PTGS2's involvement in OSCC, highlighting its potential as both a biomarker and a therapeutic target.
Conclusion:
Osthole can modulate OSCC by targeting PTGS2, providing a theoretical basis for OSCC management.
Insights
Osthole shows therapeutic potential for oral squamous cell carcinoma (OSCC) by targeting PTGS2. This research identifies PTGS2 as a key player in OSCC, offering new avenues for treatment.
Area of Science:
- Oncology
- Pharmacology
- Immunology
Background:
- Oral squamous cell carcinoma (OSCC) presents a significant challenge in cancer treatment.
- Investigating novel therapeutic agents like Osthole is crucial for improving patient outcomes.
Purpose of the Study:
- To explore the therapeutic effects of Osthole in OSCC.
- To elucidate the underlying molecular mechanisms of Osthole's action in OSCC.
- To identify potential biomarkers and therapeutic targets for OSCC.
Main Methods:
- Differential gene expression analysis and nomogram construction.
- Gene set enrichment analysis and immune infiltration analysis.
- Molecular docking and single-cell expression analysis.
Main Results:
- PTGS2 was identified as a key molecule interacting with Osthole.
- Elevated levels of activated inflammatory cells were observed in OSCC.
- High PTGS2 expression was detected in macrophages and mast cells via single-cell analysis.
Conclusions:
- PTGS2 plays a significant role in OSCC, indicating its potential as a diagnostic biomarker and therapeutic target.
- Osthole demonstrates the ability to modulate OSCC by targeting PTGS2.
- This study provides a theoretical foundation for utilizing Osthole in OSCC management.
