MODULATORS OF RNA RIBOSWITCHES

摘要

The inventive subject matter relates to a computer model generated from a data array, computer readable storage media encoded with the model, and computers comprising the model, wherein the model is derived from atomic structure coordinates of an FMN riboswitch or a lysine riboswitch. The inventive subject matter further relates to a pharmacophore having a spatial arrangement of atoms defined by the binding pocket identified in the model, along with a compound defined by the pharmacophore. Finally, the inventive subject matter additionally relates to methods for rational drug design based on the atomic structure data, and to compounds identified by the rational drug design process.