A Structural Framework for GPCR Chemogenomics: What’s In a Residue Number?
Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research › peer-review
The recent surge of crystal structures of G protein-coupled receptors (GPCRs), as well as comprehensive collections of sequence, structural, ligand bioactivity, and mutation data, has enabled the development of integrated chemogenomics workflows for this important target family. This chapter will focus on cross-family and cross-class studies of GPCRs that have pinpointed the need for, and the implementation of, a generic numbering scheme for referring to specific structural elements of GPCRs. Sequence- and structure-based numbering schemes for different receptor classes will be introduced and the remaining caveats will be discussed. The use of these numbering schemes has facilitated many chemogenomics studies such as consensus binding site definition, binding site comparison, ligand repurposing (e.g. for orphan receptors), sequence-based pharmacophore generation for homology modeling or virtual screening, and class-wide chemogenomics studies of GPCRs.
|Title of host publication||Methods in Molecular Biology|
|Number of pages||41|
|Publication date||1 Jan 2018|
|Publication status||Published - 1 Jan 2018|
|Series||Methods in Molecular Biology|
- Chemogenomics, Crystal structures, Drug discovery, G protein-coupled receptors, GPCRs, Ligand repurposing, Mutations, Numbering schemes