A Structural Framework for GPCR Chemogenomics: What’s In a Residue Number?

Publikation: Bidrag til bog/antologi/rapportBidrag til bog/antologiForskningfagfællebedømt

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.

OriginalsprogEngelsk
TitelMethods in Molecular Biology
Antal sider41
ForlagHumana Press
Publikationsdato1 jan. 2018
Sider73-113
DOI
StatusUdgivet - 1 jan. 2018
NavnMethods in Molecular Biology
Vol/bind1705
ISSN1064-3745

ID: 199351651