Rheumatoid arthritis mechanism. Tony Kettle - Google Tudós
Method: We first calculated interconnectivity scores all the network targets.
We then computed weighted centrality measure using the calculated interconnectivity score to identify the major network targets. To apply our technology to network pharmacology, a tripartite drug target network, was first built to identify the potential RP-RB active compounds.
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- The signals mediating negative selection of B cells play a role in maintaining immunological tolerance.
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An imbalance network was then built from a union merge of a rheumatoid arthritis mechanism network of drug target network and disease target network to explore the mechanism of action of RP-RB compositive compounds in the treatment of rheumatoid arthritis.
The major identified network targets were then validated by the enrichment analysis and a molecular docking simulation.
Result : The experimental results indicated that out of compounds, 22 actively interacted with the putative target genes associated with rheumatoid arthritis. An imbalance network simulation identified a total of 33 major network targets.
These includes 8 RP-RB compositive compounds, 10 therapeutic targets and 15 putative target genes. The the enrichment analysis based on the Gene Ontology and a KEGG pathway demonstrated that majority of candidate putative target genes were frequently involved in TNF, CCR5, IL and G-protein coupled receptors signaling pathways which are critical in the progression of rheumatoid arthritis. The molecular docking simulation indicated that Glyceryl diacetateOleate, Hexadecanoic acid, 2,3-bis acetyloxy propyl ester, Glycidyl oleate, and Oleoyl chloride and candidate known rheumatoid arthritis therapeutic targets had high binding affinity.
Molecular descriptor analysis also confirm these compounds were within the Lipinski limits hence indicating their potential drug likeliness for the treatment of rheumatoid arthritis. Conclusion : This study developed a new technology that integrate interconnectivity-based weighted network centrality measure approach and network pharmacology techniques to explore mechanisms of action of the Ruellia prostrata RP and Rheumatoid arthritis mechanism bignoniiflora RB herbal formula that could lead us to design and discover alternative drug compounds for the management and treatment of rheumatoid arthritis.