Modeling Resources for GPCR Research

Structures & Interactions

G protein-coupled receptors (GPCRs) are a family of integral transmembrane proteins. They share a common, seven transmembrane helices fold adapting two major conformations, active and inactive, depending on interactions with endogenous molecules and G proteins. GPCRs family was divided in five subfamilies (named also classes): class A (the largest one, rhodopsin-like GPCRs), class B (secretin-like GPCRs), class C (adhesion GPCRs), class D (glutamate GPCRs) and class F (frizzled-like/taste 2 GPCRs). Here, we presented in details two cannabinoid receptors CB1 and CB2 belonging to class A. CB1 and CB2, expressed mainly in central nervous system and immune system are targets of promising APIs with anti-inflammantory and analgesic action. For more information about other GPCR receptors visit:

GPCRM is a web application for structure modeling of GPCRs (Latek et al. 2013, Miszta et al. 2018). Its algorithm includes multiple templates-based modeling and sequence profiles comparison.

GUT-DOCK is a web application for molecular docking dedicated to GPCRs (Pasznik et al. 2019). It can be used for modeling of interactions of small-molecule ligands with gut hormones receptors.

Pubchem is a basic resource for chemoinformatics.

ChEMBL is a database of bioactive molecules with drug-like properties.