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Exploring the Potential of Calebin-A in Targeting Obesity-Related Genes and Pathways
Ali Mahmoudi1, Ali Saeedi-Boroujeni1, Sercan Karav2
1Department of Basic Medical Sciences, Faculty of Medicine, Abadan University of Medical Sciences, Abadan, Iran.
Abstract:
Obesity is a global health crisis affecting millions, associated with metabolic disorders such as type 2 diabetes and cardiovascular disease. Calebin-A, a bioactive compound derived from Curcuma species, has shown promise in managing obesity and its complications. This study utilized bioinformatics tools to explore the molecular mechanisms of Calebin-A in obesity. Transcriptomic data from obese and normal omental adipose tissue (GSE286454) were analysed, identifying 317 differentially expressed genes (DEGs). Functional enrichment analysis indicated a notable engagement of lysosomal activity, immune response, cell migration, axon guidance and apoptosis pathways. A STRING-based protein-protein interaction network revealed nine hub genes through a composite centrality score. Among these, CTSB, CTSZ, CTSA, GRN and TUBB exhibited upregulation and were prioritized for subsequent analysis. External validation (GSE59034; 16 obese vs. 16 controls) corroborated the consistent upregulation of CTSB, CTSZ, GRN and CTSA. Target prediction analysis identified 443 potential targets for Calebin-A, with pathway-level overlap suggesting a convergence on immune, lysosomal and cytoskeletal processes. Molecular docking studies indicated favourable binding affinities (-5.2 to -7.1 kcal/mol), with CTSZ demonstrating the most robust interaction. A 100 ns molecular dynamics simulation validated structural stability and indicated favourable binding free energy (MM-PBSA ΔG ≈ -110 kJ/mol). Results suggest that Calebin-A targets genes and proteins involved in energy balance and inflammation, offering insights into its anti-obesity potential. These findings provide a foundation for experimental validation and therapeutic development.
Insights
Calebin-A shows potential for managing obesity by targeting genes involved in inflammation and energy balance. This study used bioinformatics to uncover its molecular mechanisms, identifying key protein interactions and pathways.
Area of Science:
- Biochemistry
- Bioinformatics
- Molecular Biology
Background:
- Obesity is a global health crisis linked to metabolic disorders.
- Calebin-A, from Curcuma species, is a promising compound for obesity management.
Purpose of the Study:
- To explore the molecular mechanisms of Calebin-A in obesity using bioinformatics.
- To identify key genes and pathways targeted by Calebin-A.
Main Methods:
- Analysis of transcriptomic data from obese and normal adipose tissue (GSE286454).
- Functional enrichment analysis, protein-protein interaction network construction (STRING).
- External data validation (GSE59034), target prediction, molecular docking, and molecular dynamics simulations.
Main Results:
- Identified 317 differentially expressed genes (DEGs) and highlighted pathways in lysosomal activity, immune response, and apoptosis.
- Discovered nine hub genes, with CTSB, CTSZ, GRN, and CTSA consistently upregulated.
- Calebin-A showed favorable binding affinities to target proteins, particularly CTSZ, suggesting convergence on immune, lysosomal, and cytoskeletal processes.
Conclusions:
- Calebin-A targets genes and proteins involved in energy balance and inflammation.
- Findings provide a foundation for understanding Calebin-A's anti-obesity potential and for therapeutic development.
