Medicinal Chemistry

Attempt to Explore the Binding Mechanism of IL-1β Inhibitors via Molecular Docking Studies

Abstract

Sobia Ahsan Halim and Muhammad Jawad

IL-1β is an important cytokineinvolved in several immune responses. IL-1β exerts its effect by binding with its receptorcalled IL-1R1 and leading to a series of intra-cellular signalling. The over-expression of IL-1β leads to immunological complications including arthritis and auto-immune disorders. Currently there are several drugs in the market to cure the inflammation either by inhibiting the production of IL-1β or affecting its signal cascade. The hindrance in the interaction between IL-1β interaction and its receptor can stop its function hence hope to cure inflammatory diseases. This study presents a docking analysis of five commercially available drugs at the IL-1β/IL-1R1 protein interface. This study would give an insight for designing the drugs, capable to block the direct interaction of IL-1β with its receptor ultimately leading to some more consistent cure for inflammatory diseases.