Targeting GPCRs Via Multi-Platform Arrays and AI

G Protein-Coupled Receptors (GPCRs) are the largest superfamily of proteins, able to perform a wide range of functions, depending on their specific sequence, three-dimensional (3D) structure, ligand-coupling, and subsequent signaling pathway. There is still a considerable number of questions that remain unanswered concerning their biological mechanism, as these are Membrane Proteins (MPs), particularly hard to experimentally characterize. Computational methodologies are privileged approaches and Artificial Intelligence (AI), in particular, is an attractive, innovative set of mathematical algorithms/methods that is capable of providing fundamental knowledge on this challenging subject. In this article, we covered over 60 cases where AI was successfully applied to boost the characterization of diverse GPCRs. Furthermore, we made a thorough review of existing Drug-Target Interaction (DTI) prediction methods associated with GPCRs and their respective ligands since these are major AI applications in the field. In all subsections, we explained the more relevant methods while exposing the most pertinent examples.