Therapeutic Mechanisms Of Rhubarb Extract In Chronic Periodontitis

To explore the therapeutic potential of rhubarb extract in chronic periodontitis by elucidating its mechanisms of action through network pharmacology and molecular simulations. Bioactive compounds in rhubarb extract were identified using pharmacological databases, and their molecular targets were mapped. A protein-protein interaction (PPI) network was constructed to identify key targets involved in chronic periodontitis. Enrichment analyses were performed to explore the biological pathways associated with these targets. Molecular docking studies were conducted to investigate the binding affinity of key compounds (e.g., EUPATIN and beta-sitosterol) with periodontitis-related targets. Molecular dynamics simulations were used to assess the stability of the PTGS2-EUPATIN complex over time. The PPI network identified CASP3, ESR1, and BCL2 as central targets. Enrichment analyses highlighted pathways related to steroid hormone response and estrogen signaling. Molecular docking showed strong binding affinity between key compounds and their targets. Molecular dynamics simulations demonstrated high stability of the PTGS2-EUPATIN complex, with stable interactions maintained over the simulation period. Our findings suggest that rhubarb extract may have therapeutic potential in chronic periodontitis by modulating key molecular targets such as CASP3, ESR1, and BCL2, and pathways including steroid hormone response and estrogen signaling. These insights into its anti-inflammatory mechanisms support further exploring rhubarb extract as an adjunctive therapy in clinical settings. With its traditional anti-inflammatory applications and demonstrated immune-modulating efficacy, rhubarb extract could be a promising candidate for future clinical trials to evaluate its efficacy and safety in periodontal therapy.