Current pharmaceutical design · 2026
Exploring the Potential Mechanism of Smilax Glabra Roxb in Periodontitis Through Network Pharmacology and Molecular Docking.
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Hong Jinjia, Ma Peilun, Zhang Yuan, Li Na, Zhang Pengfei, Tian Chunrui, Cao Yukang, Wang Xing
Аннотация
INTRODUCTION: This study aims to explore the potential mechanisms of Smilax Glabra Roxb (SGR) in the treatment of periodontitis using network pharmacology and molecular docking.
METHODS: The active components and targets of SGR were identified using the TCMSP, STITCH, and SwissTargetPrediction databases, while periodontitis-related targets were retrieved from GeneCards, TTD, and OMIM. Overlapping targets were subjected to Protein-Protein Interaction (PPI) analysis via the STRING platform, followed by network analysis using Cytoscape software and the MCODE plugin to identify key protein targets. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses were conducted through the DAVID database to determine relevant biological processes and pathways. Finally, molecular docking was performed to assess the binding affinity between the key active components of SGR and critical target and pathway proteins.
RESULTS: A total of 15 active components and 527 potential targets of SGR were identified, along with 367 targets related to periodontitis. The 75 overlapping targets were considered potential therapeutic targets. Key genes, such as IL6, IL1Β, and TNF, were identified through Cytoscape analysis. KEGG enrichment analysis indicated that the overlapping targets are primarily involved in inflammatory and metabolic pathways, including the AGE-RAGE signaling pathway, the lipid and atherosclerosis pathway, and the TNF signaling pathway. Molecular docking results showed that the key active components can stably bind to the critical targets and pathway proteins.
DISCUSSION: SGR may have particular advantages in treating periodontitis in patients with systemic diseases, such as diabetes and cardiovascular conditions, but further research is needed to validate its clinical efficacy and safety.
CONCLUSION: This study highlights the therapeutic potential of SGR in the treatment of periodontitis and elucidates its possible molecular mechanisms, offering new insights and targets for periodontitis therapy.
METHODS: The active components and targets of SGR were identified using the TCMSP, STITCH, and SwissTargetPrediction databases, while periodontitis-related targets were retrieved from GeneCards, TTD, and OMIM. Overlapping targets were subjected to Protein-Protein Interaction (PPI) analysis via the STRING platform, followed by network analysis using Cytoscape software and the MCODE plugin to identify key protein targets. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses were conducted through the DAVID database to determine relevant biological processes and pathways. Finally, molecular docking was performed to assess the binding affinity between the key active components of SGR and critical target and pathway proteins.
RESULTS: A total of 15 active components and 527 potential targets of SGR were identified, along with 367 targets related to periodontitis. The 75 overlapping targets were considered potential therapeutic targets. Key genes, such as IL6, IL1Β, and TNF, were identified through Cytoscape analysis. KEGG enrichment analysis indicated that the overlapping targets are primarily involved in inflammatory and metabolic pathways, including the AGE-RAGE signaling pathway, the lipid and atherosclerosis pathway, and the TNF signaling pathway. Molecular docking results showed that the key active components can stably bind to the critical targets and pathway proteins.
DISCUSSION: SGR may have particular advantages in treating periodontitis in patients with systemic diseases, such as diabetes and cardiovascular conditions, but further research is needed to validate its clinical efficacy and safety.
CONCLUSION: This study highlights the therapeutic potential of SGR in the treatment of periodontitis and elucidates its possible molecular mechanisms, offering new insights and targets for periodontitis therapy.