Molecular and volatile profile of Stereum hirsutum. An integrated network pharmacology and in silico docking study predicting potential targets related to cutaneous inflammation

This study characterizes the molecular identity, phylogenetic position, and volatile profile of a single Algerian isolate of Stereum hirsutum, and explores, through in silico approaches, its potential relevance to cutaneous inflammation. Molecular identification based on ITS sequence analysis confirmed the isolate's placement within the S. hirsutum clade with strong phylogenetic support. HS-SPME–GC–MS analysis of one sample revealed five major volatile constituents: 2,5-di-tert-butylphenol (52.0%), β-barbatene (22.6%), phytane (17.0%), farnesane (7.2%), and β-thujene (1.3%), expressed as relative area percentages. Network pharmacology analysis identified 86 predicted overlapping targets between compound-associated targets and inflammation-related genes retrieved from public databases. Protein–protein interaction analysis highlighted TNF, IL6, and AKT1 as highly connected nodes. KEGG enrichment suggested potential associations with TNF and IL-17 signaling pathways. Molecular docking indicated moderate binding affinities of selected volatiles toward TNF-α, IL-6, and AKT1 (􀀀 4.4 to 􀀀 7.2 kcal/mol), suggesting plausible binding poses. Overall, this study provides (i) molecular confirmation of an Algerian S. hirsutum isolate and (ii) a preliminary volatile profile under defined analytical conditions, while generating in silico hypotheses regarding possible antiinflammatory targets. Experimental validation is required to confirm any biological relevance in dermatological contexts.