G-Protein Coupled Receptors (GPCRs) are able to modulate cellular responses by means of different signaling cascades. These cascades involve other downstream players such as G-proteins, β-Arrestin (β-Arr), and Mitogen-Activated Protein Kinases (MAPK). A ligand is termed biased when it preferentially activates one particular GPCR signaling cascade over another. In this project, we explored the recently available public database, BiasDB, that complied information about ligand-protein combinations resulting in signaling bias. This database contains 618 cases of signaling bias describing specific G-protein (Gs, Gi, Go, Gq), β-Arr and MAPK bias. Unique pharmacophores that contribute to the biased signaling and the machine learning models trained on this data to characterize ligands as specific biased ligands will be presented.

Deciphering chemical information of small molecules contibuting to biased GPCR signaling

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.