Phytochemical and pharmacoinformatics analysis of a traditional antipsoriatic oil formulation for its potential against proinflammatory cytokines TNF-α and IL-17A.

ABSTRACT: Psoriasis, a persistent inflammatory condition with a complex origin, lacks a definitive cure despite the availability of diverse treatments. Vetpalai thailam (VT), a Siddha formulation, is commonly used for addressing various skin ailments. Analysis via GC-MS of a sample of VT oil unveiled the existence of 65 compounds. These identified phytochemical structures were then examined through molecular docking against the proinflammatory cytokines TNF-α and IL-17A, resulting in the shortlisting of seven compounds. Among these, four displayed binding potential against TNF-α, while three exhibited similar potential against IL-17A. Further, the individual shortlisted phytochemical and protein complexes were subjected to molecular dynamics and documented their RMSDs, RMSFs, SASA, Rg, MMPBSA, and P

SUBMITTER: Dayanand ND 

PROVIDER: S-EPMC12404448 | biostudies-literature | 2025

REPOSITORIES: biostudies-literature