Ann Pharmacol Pharm | Volume 8, Issue 1 | Research Article | Open Access

Exploring the Mechanism of Curcumin’s Impact on Cuproptosis Pathway in the Treatment of Rheumatoid Arthritis Based on Bioinformatics and Molecular Dynamics

Jianwei X#, Xinmin H#, Xu C, Yiwei H, Zhengbo Y and Xinpeng C*

Department of Rheumatology, Shenzhen Futian Hospital for Rheumatic Diseases, China

*Correspondance to: Chen Xinpeng 

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Abstract

Aim: Rheumatoid Arthritis (RA) is a chronic inflammatory disease characterized by the abnormal proliferation and invasion of Rheumatoid Arthritis Fibroblast-Like Synoviocytes (RA-FLS). This study aimed to investigate the potential role of cuproptosis in the pathogenesis of RA and explore the impact of curcumin on cuproptosis-related genes as a novel therapeutic avenue for RA. Methods: The GSE94648 dataset was obtained from the GEO database, and Gene Set Enrichment Analysis (GSEA) was performed to assess the expression of cuproptosis-related pathways. Cuproptosis-related genes were extracted in RA. Potential curcumin target genes were predicted through SwissTargetPrediction and Similarity Ensemble Approach websites, and the intersection with cuproptosis-related genes provided potential target genes for curcumin treatment. Molecular docking was carried out to analyze the interaction between curcumin and the potential target genes, followed by molecular dynamics simulations. Results: In RA, the cuproptosis-related pathways were upregulated, and the expression of cuproptosis-related gene NFE2L2 was elevated in RA synovial tissues. Molecular docking studies indicated a strong binding affinity between curcumin and NFE2L2, which was maintained during molecular dynamics simulations. Conclusion: Curcumin may influence NFE2L2 activity by regulating the cuproptosis pathway, providing a potential mechanism for the treatment of RA.

Keywords:

Rheumatoid arthritis; Cuproptosis; Curcumin; Molecular Dynamics

Citation:

Jianwei X, Xinmin H, Xu C, Yiwei H, Zhengbo Y, Xinpeng C. Exploring the Mechanism of Curcumin’s Impact on Cuproptosis Pathway in the Treatment of Rheumatoid Arthritis Based on Bioinformatics and Molecular Dynamics. Ann Pharmacol Pharm. 2023; 8(1): 1209..

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