Molecular Interaction Analysis of Phytochemicals as the Prospective Potential Multi-Target Inhibitors Related to Psoriasis and Other Autoimmune Disorders

Abstract

Psoriasis is an inflammatory skin disease in which the immune system's T cells are activated and trigger inflammation within the skin. Inflammatory markers, such as IL-23, IL-17, IL-6, TNF-α, NLRP-3, and 12R Lipoxygenase (12 R-Lox), play a crucial role in the inflammatory pathway. Anti-inflammatory drugs are used to modulate the immune response and reduce excessive inflammation that contributes to disease progression. However, many existing anti-inflammatory drugs often target a single marker, potentially limiting their effectiveness and leading to side effects. Emerging research has highlighted the potential of various phytochemicals to modulate inflammatory processes and contribute to improved health outcomes. This study aimed to explore the potential of phytochemicals as alternative therapeutic agents targeting multiple psoriasis inflammatory biomarkers. In silico molecular docking was conducted on various phytochemicals, including curcumin, mangiferin, reservatrol, silybin, quercertin, piperine, and naringin against different inflammatory biomarkers: IL-6, IL-17, IL-23, TNF-α, NLRP-3 and 12R-Lox. The results illustrated that among the phytochemicals, silybin exhibited the highest docking score and inhibiting effects on all the inflammatory biomarkers. Curcumin, mangiferin, silybin and piperine demonstrated binding with multiple inflammatory biomarkers. Additionally, 12R-Lox displayed the highest binding affinity with all the phytochemicals. The inhibition and binding effects of the remaining phytochemicals under evaluation were moderate. The combination of these phytochemicals can be used for the preparation of medications targeting psoriasis.