Molecular Modeling, Synthesis, and Functional Characterization of GPCR (G-Protein Coupled Receptor) Ligands

Dear Colleagues,

G-protein-coupled receptors (GPCRs) are involved in many physiological functions via signal transduction and direct or indirect control of cellular interplay. GPCRs are the targets of many clinically important drugs (>60%). The GPCR field has tremendous potential for drug discovery. Probing the determinants of the interactions between GPCRs and ligands, which take advantage of ortho- or allosteric interactions and can switch on bias (via functional selectivity), is central to drug discovery.

Mutations or alterations in GPCRs can cause different diseases. Understanding the molecular basis of GPCR dynamics and their alternate functioning may help us better understand different human diseases and so improve the likelihood of finding compounds with which health can be recovered.

All of the above considerations will lead to further development in this field, which mixes knowledge that comes from experimental and in-silico methodologies.

Dr. Livia Basile
Prof. Dr. Salvatore Guccione
Guest Editors

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