Phytoconstituents of a Traditional Oil Formulation Inhibits IL-17A and TNF-α involved in Psoriasis: A Molecular Docking Study

Abstract

Psoriasis is one of the chronic inflammatory conditions with multifactorial aetiology. Even though there are different treatments available, there is no cure for psoriasis. A Siddha polyherbal formulation, Sivanar vembu kuzhi thailam (SVKT), is used to treat various skin diseases. In this study, methanolic extract of SVKT was analysed using gas chromatography–mass spectrometry (GC-MS) which showed the presence of 86 compounds. They were further subjected to molecular docking to find the effect of SVKT on inflammatory proteins, IL-17A and TNF-α, involved in the pathogenesis of psoriasis. Four shortlisted compounds from SVKT exhibited their inhibitory potential on IL-17A with binding energy varying between -8.2 to -6.6 kcal/mol and three compounds on TNF-α with binding energy varying between -7.8 to -5.6 kcal/mol. Pharmacokinetic properties (Absorption, Distribution, Metabolism, Excretion and Toxicity-ADMET) were also evaluated in silico which showed favourable features. 2-(hydroxymethyl)-6-octylsulfanyloxane-3,4,5-triol and α-Lactose among the shortlisted constituents, inhibited both proteins through exhibiting multiple interactions. Hence this study provides valuable insights into the inhibitory effect of phytochemicals present in SVKT on IL-17A and TNF-α which may pave way to the discovery of new drugs to treat psoriasis.