https://www.socictopen.socict.org/files/original/d0a4ac1da78a3d18460a2638b3aee706.pdf c599a5fd7a19eed9672d2ab0762a971a Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Coronavirus Description An account of the resource Dominio científico: Coronavirus Text A resource consisting primarily of words for reading. Examples include books, letters, dissertations, poems, newspapers, articles, archives of mailing lists. Note that facsimiles or images of texts are still of the genre Text. Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Structural Probing and Molecular Modeling of the A3 Adenosine Receptor: A Focus on Agonist Binding Creator An entity primarily responsible for making the resource Antonella Ciancetta, Kenneth A. Jacobson Description An account of the resource Adenosine is an endogenous modulator exerting its functions through the activation of four adenosine receptor (AR) subtypes, termed A1, A2A, A2B and A3, which belong to the G protein-coupled receptor (GPCR) superfamily. The human A3AR (hA3AR) subtype is implicated in several cytoprotective functions. Therefore, hA3AR modulators, and in particular agonists, are sought for their potential application as anti-inflammatory, anticancer, and cardioprotective agents. Structure-based molecular modeling techniques have been applied over the years to rationalize the structure–activity relationships (SARs) of newly emerged A3AR ligands, guide the subsequent lead optimization, and interpret site-directed mutagenesis (SDM) data from a molecular perspective. In this review, we showcase selected modeling-based and guided strategies that were applied to elucidate the binding of agonists to the A3AR and discuss the challenges associated with an accurate prediction of the receptor extracellular vestibule through homology modeling from the available X-ray templates. Date A point or period of time associated with an event in the lifecycle of the resource 2017 Subject The topic of the resource G-protein-coupled receptor, site-directed mutagenesis, Homology Modeling, Adenosine receptor, structure-activity relationship, nucleoside, docking, Molecular dynamics, agonist, drug discovery, virtual screening Identifier An unambiguous reference to the resource within a given context DOI: 10.3390/molecules22030449 Source A related resource from which the described resource is derived Molecules Publisher An entity responsible for making the resource available MDPI AG Coverage The spatial or temporal topic of the resource, the spatial applicability of the resource, or the jurisdiction under which the resource is relevant Organic chemistry Language A language of the resource EN