Please use this identifier to cite or link to this item: http://hdl.handle.net/20.500.12779/5784
DC FieldValueLanguage
dc.contributor.authorTintori, Cristinaen_us
dc.contributor.authorManetti, Fabrizioen_us
dc.contributor.authorBotta, Maurizioen_us
dc.date.accessioned2021-03-30T15:55:07Z-
dc.date.available2021-03-30T15:55:07Z-
dc.date.issued2010-
dc.identifier.issn1568-0266en_US
dc.identifier.urihttp://hdl.handle.net/20.500.12779/5784-
dc.description34987en_US
dc.description.abstractComputational methodologies are used to increase the efficiency of drug discovery process by rendering the design of new drug candidates more rapid and cost-efficient. In silico techniques can be divided in two main groups. Structure-based drug design procedures can be applied (such as docking simulations) if the target is known from experimental (i.e., X-ray crystallographic studies, NMR studies) or theoretical sources (receptor structure built by homology modeling techniques). Otherwise, ligand-based drug design methods can be used (e.g., QSAR or 3D QSAR models, pharmacophoric models) based on the analysis of a number of ligands known to act with a common mechanism of action. Adenosine receptors (ARs) are a family of G-protein coupled receptors (GPCRs) of great interest as targets for therapeutic intervention. Due partly to the lack of reliable adenosine receptor structures, ligand-based drug discovery methods remain the major computational molecular modeling approach applied in the research of new AR ligands. The scope of this review is to summarize the results on pharmacophoric models and 3D QSAR studies concerning AR ligands. In particular, the review will focus on the use of such ligand-based computational techniques for the identification of new AR ligands and/or for their optimization.en_US
dc.language.isoenen_US
dc.relationNoneen_US
dc.relation.ispartofCURRENT TOPICS IN MEDICINAL CHEMISTRYen_US
dc.titlePharmacophoric models and 3D QSAR studies of the adenosine receptor ligandsen_US
dc.typeArticleen_US
dc.identifier.doi10.2174/156802610791293118en_US
dc.identifier.pmid20370655en_US
dc.identifier.scopus2-s2.0-77953531343en_US
dc.identifier.isiWOS:000277887600005en_US
dc.relation.volume10en_US
dc.description.firstpage1019en_US
dc.description.lastpage1035en_US
dc.description.thirdmissionNot applicableen_US
item.cerifentitytypePublications-
item.grantfulltextnone-
item.languageiso639-1en-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.openairetypeArticle-
item.fulltextNo Fulltext-
crisitem.author.orcid0000-0002-9598-2339-
crisitem.author.orcid0000-0003-0456-6995-
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