Phytochemical characterization and bioactivity of Symplocos racemosa bark against psoriatic inflammation: in silico and In vitro insights.

Abstract

Psoriasis, an immune-mediated dermatosis marked by aberrant keratinocyte proliferation and dysregulated inflammatory cascades, demands the development of safer therapeutics. Natural products, owing to their multi-target pharmacological potential and favourable safety profiles, are increasingly investigated as alternatives to conventional synthetic agents. In the present study Symplocos racemosa Roxb. (S. racemosa), traditionally utilised in dermatotherapeutic practices, was systematically evaluated for its antipsoriatic potential. The ethanolic stem bark extract was characterised using LC-MS, which revealed the presence of several bioactive phytoconstituents, with major compounds including Baicalin, N-fructosyl tyrosine, and delphinidin derivatives. Molecular docking demonstrated strong target, with binding affinities of -11.77 kcal/mol (6IQ6), -10.17 kcal/mol (3CQU), and -8.23 kcal/mol (2AZ5). Molecular dynamics simulations confirmed stable protein-ligand interactions. In vitro cytotoxicity assessment on human keratinocytes (HaCaT) revealed an IC50 of approximately 849.80 µg/mL with anti-proliferative activity. These findings highlight S. racemosa bark extract as multi-target modulator of psoriasis-associated molecular pathways.