Molecular Docking–Guided Identification of Kaempferol, Glycitein, Corylin, and Cinnamic Acid as Multi-Target Anti-Psoriatic Agents and Evaluation of a Gel Formulation in Human Subjects
TL;DR
The findings indicate that docking-guided phytochemical selection combined with topical delivery offers a promising, well-tolerated anti-psoriatic strategy warranting further large-scale investigation.
Abstract
Psoriasis is a chronic immune-mediated skin disorder associated with dysregulation of inflammatory pathways including STAT3, IL-12, IL-23, and TNF-α. In this study, a rational molecular-docking approach was employed to screen phytoconstituents traditionally used in psoriasis management. From an initial pool of over 250 compounds, kaempferol, glycitein, corylin, and cinnamic acid demonstrated strong binding affinity and favourable safety profiles against key inflammatory targets. These compounds were incorporated into a Carbopol-based topical gel and evaluated for safety and therapeutic benefit. Dermal irritation studies confirmed good tolerability. A clinical study in psoriatic patients showed progressive improvement in PASI scores from baseline (10.78) to during treatment (8.66) and post-treatment (6.45), with statistically significant improvement between weeks two and four (p = 0.0089). No major adverse effects were reported. The findings indicate that docking-guided phytochemical selection combined with topical delivery offers a promising, well-tolerated anti-psoriatic strategy warranting further large-scale investigation.