Decoding Hippophae rhamnoides’ action of mechanism in Sjögren’s syndrome: A network pharmacology and molecular docking study
نویسندگان
چکیده
This study aimed to decode the potential bioactive compounds and action mechanism of Hippophae rhamnoides in treating Sjögren’s syndrome using network pharmacology molecular docking approach. The Traditional Chinese Medicine Systematic Pharmacology Database Analysis Platform (TCMSP) HERB (a High--throughput Experiment- Reference-guided database TCM) were used identify active components -Hippophae their targets. Databases, including GeneCards, Online Mendelian Inheritance (OMIM), DisGeNET, acquire major targets syndrome. Venn diagrams constructed compound gene Then Search Tool for Retrieval Interacting genes/proteins (STRING) platform was build a protein–protein interaction (PPI) analyze protein functional modules. Gene ontology (GO) Kyoto Encyclopedia Genes Genomes (KEGG) performed through Metascape predict biological processes decipher action. drug component–target–action pathway Cytoscape 3.8.2 software. Furthermore, AutoDock Vina software perform core key targets, validating binding affinity between Twenty-two rhamnoide candidate 208 acquired. analysis showed that ingredients regulating quercetin, kaempferol, beta-sitosterol (β-sitosterol). Core included albumin (ALB), epidermal growth factor receptor (EGFR), Caspase-3 (CASP3), peroxisome proliferator-activated gamma (PPAR-gamma or PPARG), estrogen (ER) ESR1, heat shock HSP 90-alpha, EC 3.6.4.10 (HSP90AA1), plasminogen, 3.4.21.7 (PLG), MAPK14, MAPK8, MAPK1. KEGG analyses demonstrated could exert functioning against by reacting with lipid atherosclerosis signaling tumor necrosis (TNF) pathway. Further, suggested 10 be effective treat matching five genes pockets. indicated rhamnoides’ effects on attributed regulation comprising multi-targets, multi-compounds, multi-pathways.
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ژورنال
عنوان ژورنال: Quality Assurance and Safety of Crops & Foods
سال: 2023
ISSN: ['1757-837X', '1757-8361']
DOI: https://doi.org/10.15586/qas.v15i1.1210