Discovery of an Interleukin 33 Inhibitor by Molecular Docking Simulation and NMR Analysis. (28th January 2016) - Kim, Young Kwan
Abstract : We identified an inhibitor, which is able to bind to the IL‐33 and potentially interfere with ST2 binding by means of docking‐based virtual screening and 2D NMR binding analyses. Using this compound, the NMR Chemical shift perturbation (CSP) of IL‐33 signals were analyzed and mapped on the structure of IL‐33, showing that the identified compound binds at the interface of IL‐33 and ST2 binding.