Network pharmacology and molecular docking to explore Siraitia grosvenorii’s potential mechanism in preventing and treating proliferative diabetic retinopathy
نویسندگان
چکیده
Although Siraitia grosvenorii (abbreviated as S.g. ) is frequently used to prevent and cure diabetes problems, the precise mechanism underlying its ability do so remains unknown. Through network pharmacology molecular docking techniques, we studied early mechanisms of S.g in treating proliferative diabetic retinopathy (PDR) this study. The Traditional Chinese Medicine Systems Pharmacology (TCMSP) database was screen active compounds related targets . Oral bioavailability (OB) 30% drug likeness (DL) 0.18 were screening criteria. without knowledge a probable target excluded. Uniprot included converted symbols for associated targets. GEO2R explore several genes PDR. Using jvenn web service intersect Xiantao Academic Online website examine expression patterns PDR samples. STRING create protein-protein interaction (PPI) intersecting Cytoscape software show PPI network, MCODE evaluate network’s core proteins, CytoHubba extract important networks top three Omicshare platform carried functional analysis using Gene Ontology (GO) pathway enrichment Kyoto Encyclopedia Genes Genomes (KEGG). Pymol, AutoDock Vina software, Schrödinger Software conduct experiments or pockets search on results showed that 85 matched six 18 found. Seven DEGs up-regulated eleven down-regulated when these divided into two groups. TNF, PTGS2, CASP3 main targets, according network. mostly angiogenesis, cell proliferation, oxidative stress, inflammatory response, metabolism. It discovered had various levels affinity their respective compounds. Interestingly, multiple good drug-forming PTGS2 identified through software. In particular, bind inhibit IL-17 signaling pathway, AGE-RAGE complications, Pathways cancer 14 other pathways inflammation, apoptosis, arachidonic acid metabolism, angiogenesis treat study’s findings, which served guide widespread use clinical practise, multi-substances
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ژورنال
عنوان ژورنال: Frontiers in drug discovery
سال: 2022
ISSN: ['2674-0338']
DOI: https://doi.org/10.3389/fddsv.2022.1038224