Toll-like receptors (TLRs) represent attractive targets for developing modulators for the treatment of many pathologies, including inflammation, cancer, and autoimmune diseases. Here, we describe a protocol based on the DockBox package that enables to set up and perform structure-based virtual screening in order to increase the chance of identifying novel TLR ligands from chemical libraries.
Keywords: Chemical libraries; Ligand discovery; Molecular docking; Small molecules; Toll-like receptors; Virtual screening.
© 2023. The Author(s), under exclusive license to Springer Science+Business Media, LLC, part of Springer Nature.