Construction of diagnostic model and identification of key genes of bipolar disorder based on GA-KPLS.

Introduction: Oral Submucous Fibrosis (OSMF) is a chronic disorder with potential carcinogenesis. A systems biology study identified Periostin as a potential therapeutic target, which could be influenced by gallic acid, a component of triphala, an Ayurvedic herbal formulation. This could help manage OSMF by understanding the molecular interactions between the hub gene and gallic acid. Aim: To identify the hub gene in Epithelial Mesenchymal Transition (EMT) of OSMF and to evaluate its interaction with gallic acid from triphala using molecular docking. Materials and Methods: The present experimental study was conducted at Saveetha Dental College and Hospitals Chennai, Tamil Nadu, India, over a period of one month from July to August 2024. The top 200 genes associated with OSMF were analysed using the Pubmed GENEMANIA 3.6.0 platform. The study identified the hub gene and key protein involved in the EMT of OSMF progression. Cytohubba, a plugin within Cytoscape, was used to identify key proteins or nodes within biological networks. The protein preparation wizard of maestro set up the system, and the Optimized Potentials for Liquid Simulations (OPLS) 2005 force field was used to simulate physiological conditions. The simulation was stable when the protein and ligand's Root Mean Square Deviation (RMSD) were compared over time. Results: The hub gene POSTN (Periostin), central to epithelial mesenchymal transformation in OSMF, was identified via network analysis. A pharmacophore model based on its co-crystallised ligand guided virtual screening of triphala constituents. Gallic acid emerged as a key compound, showing strong binding affinity to Periostin in docking studies. Molecular Dynamics (MD) simulations confirmed the stability of the Gallic acid-Periostin complex over 40 nanoseconds, supporting its potential therapeutic role. Conclusion: These findings highlight the importance of targeting Periostin in OSMF and support the therapeutic potential of gallic acid from triphala. Further research is needed to validate these findings and explore the clinical application of periostintargeting therapies in OSMF management.

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