Network Pharmacology and Molecular Docking Analysis of Crocus sativus L. in the Regulation of Appetite Related Pathways

Obesity is a multifactorial metabolic disorder associated with dysregulated appetite control and energy homeostasis. Herbal medicines exert therapeutic effects through multi component and multi target mechanisms, making them promising candidates for complex metabolic diseases. This study employed an integrated network pharmacology and molecular docking approach to elucidate the molecular mechanisms underlying the appetite modulating effects of Crocus sativus L. Active compounds of C. sativus were screened based on pharmacokinetic parameters, followed by target prediction and disease gene intersection analysis. A compound–target network and protein–protein interaction (PPI) network were constructed to identify hub targets. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses were performed to explore functional modules. Molecular docking was then used to validate the binding affinity between key compounds and core targets.A total of ۶۴ potential targets were identified at the intersection of saffron related compounds and appetite associated genes, with LEP, MC۴R, STAT۳, NPY, and POMC emerging as hub genes. Enrichment analysis indicated significant involvement in leptin signaling, neuroactive ligand–receptor interaction, insulin resistance, AMPK signaling, and energy homeostasis pathways. Docking results demonstrated strong binding affinity of crocin and crocetin toward STAT۳ and MC۴R, with binding energies below −۸.۰ kcal/mol and stable interaction profiles.These findings suggest that saffron regulates appetite via multi target modulation of hypothalamic and metabolic signaling pathways, providing a systems level rationale for its potential use as an adjunctive therapy in obesity and appetite related disorders.

کلیدواژه ها:

homeostasis ، Hypothalamic ، Leptin ، therapeutics