A simple open source bioinformatic methodology for initial exploration of GPCR ligands' agonistic/antagonistic properties.

ABSTRACT: Drug development is an arduous procedure, necessitating testing the interaction of a large number of potential candidates with potential interacting (macro)molecules. Therefore, any method which could provide an initial screening of potential candidate drugs might be of interest for the acceleration of the procedure, by highlighting interesting compounds, prior to in vitro and in vivo validation. In this line, we present a method which may identify potential hits, with agonistic and/or antagonistic properties on GPCR receptors, integrating the knowledge on signaling events triggered by receptor activation (GPCRs binding to G_α,β,γ proteins, and activating G_α , exchanging GDP for GTP, leading to a decreased affinity of the G_α for the GPCR). We show that, by i

SUBMITTER: Panagiotopoulos AA 

PROVIDER: S-EPMC7358596 | biostudies-literature | 2020 Aug

REPOSITORIES: biostudies-literature