Network pharmacology prediction and molecular docking-based strategy to explore the potential mechanism of squalene against inflammation.

ABSTRACT: Squalene (SQ) has been documented in the past for its ability to reduce inflammation, but its mechanism needs more information. In this study, we investigated squalene as an anti-inflammatory drug candidate and the framework involved in treating inflammation (INF) using the network pharmacology concept. The molecular targets of SQ and INF that are available in databases and the overlaps between these targets were demonstrated using InteractiVenn. The protein-protein networks were generated that in turn revealed several key targets and were further processed with Cytoscape. The gene ontology enrichment and Kyoto Encyclopedia of Genes and Genomes pathway (KEGG) studies were performed. We also performed molecular docking tests that validated the binding affinity of molecular targets and drugs

SUBMITTER: Luke SS 

PROVIDER: S-EPMC11093945 | biostudies-literature | 2024

REPOSITORIES: biostudies-literature