In Silico Study of Plumbagin as Potent Inhibitor of Pro-Inflammatory Molecules TNF-, NF-, and IL-17

Abstract

Plumbagin is a flavonoid compound with an anti-inflammatory function, but its mechanism of action has yet to be explained in detail. The anti-inflammatory effect of Plumbagin may occur because Plumbagin interferes with signaling pathways in inflammatory pathways such as cytokines and transcription factors. This study aimed to examine the potential of Plumbagin as an inhibitor for pro-inflammatory molecules using a molecular docking approach. This study docked Plumbagin into TNF-, NF-κ, and IL-17A. The free binding energy between Plumbagin-IL-17A, -TNF-, and -NF-κ were -6.04, -5.60, and -3.63 kcal/mol, respectively. The docking results suggest that Plumbagin has good binding affinities and interactions with IL-17A. These results can be used to conduct further in vitro and in vivo studies.