Virtual Screening as a Technique for PPAR Modulator Discovery

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dc.contributor.authorLewis, Stephanie N.en
dc.contributor.authorBassaganya-Riera, Josepen
dc.contributor.authorBevan, David R.en
dc.contributor.departmentBiochemistryen
dc.contributor.departmentFralin Life Sciences Instituteen
dc.date.accessioned2016-12-23T14:38:31Zen
dc.date.available2016-12-23T14:38:31Zen
dc.date.issued2010-01-01en
dc.description.abstractVirtual screening (VS) is a discovery technique to identify novel compounds with therapeutic and preventive efficacy against disease. Our current focus is on the in silico screening and discovery of novel peroxisome proliferator-activated receptor-gamma (PPARγ) agonists. It is well recognized that PPARγagonists have therapeutic applications as insulin sensitizers in type 2 diabetes or as anti-inflammatories. VS is a cost- and time-effective means for identifying small molecules that have therapeutic potential. Our long-term goal is to devise computational approaches for testing the PPARγ-binding activity of extensive naturally occurring compound libraries prior to testing agonist activity using ligand-binding and reporter assays. This review summarizes the high potential for obtaining further fundamental understanding of PPARγ biology and development of novel therapies for treating chronic inflammatory diseases through evolution and implementation of computational screening processes for immunotherapeutics in conjunction with experimental methods for calibration and validation of results.en
dc.description.versionPublished versionen
dc.format.extent10 page(s)en
dc.format.mimetypeapplication/pdfen
dc.identifier.citationStephanie N. Lewis, Josep Bassaganya-Riera, and David R. Bevan, “Virtual Screening as a Technique for PPAR Modulator Discovery,” PPAR Research, vol. 2010, Article ID 861238, 10 pages, 2010. doi:10.1155/2010/861238en
dc.identifier.doihttps://doi.org/10.1155/2010/861238en
dc.identifier.issn1687-4757en
dc.identifier.urihttp://hdl.handle.net/10919/73811en
dc.language.isoenen
dc.publisherHindawien
dc.relation.urihttp://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000283428900001&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=930d57c9ac61a043676db62af60056c1en
dc.rightsCreative Commons Attribution 3.0 Unporteden
dc.rights.holderCopyright © 2010 Stephanie N. Lewis et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.en
dc.rights.urihttp://creativecommons.org/licenses/by/3.0/en
dc.subjectMedicine, Research & Experimentalen
dc.subjectResearch & Experimental Medicineen
dc.subjectMEDICINE, RESEARCH & EXPERIMENTALen
dc.subjectACTIVATED-RECEPTOR-GAMMAen
dc.subjectLIGAND-BINDING DOMAINen
dc.subjectALPHA/GAMMA DUAL AGONISTSen
dc.subjectSTRUCTURE-BASED DESIGNen
dc.subjectCRYSTAL-STRUCTUREen
dc.subjectBIOLOGICAL-ACTIVITIESen
dc.subjectSTRUCTURAL BASISen
dc.subjectFATTY-ACIDSen
dc.subjectDIHYDROFOLATE-REDUCTASEen
dc.subjectMOLECULAR DOCKINGen
dc.titleVirtual Screening as a Technique for PPAR Modulator Discoveryen
dc.title.serialPPAR Researchen
dc.typeArticle - Refereeden
dc.typeReviewen
dc.type.dcmitypeTexten
pubs.organisational-group/Virginia Techen
pubs.organisational-group/Virginia Tech/Agriculture & Life Sciencesen
pubs.organisational-group/Virginia Tech/Agriculture & Life Sciences/Biochemistryen
pubs.organisational-group/Virginia Tech/Agriculture & Life Sciences/CALS T&R Facultyen
pubs.organisational-group/Virginia Tech/All T&R Facultyen
pubs.organisational-group/Virginia Tech/Faculty of Health Sciencesen
pubs.organisational-group/Virginia Tech/University Research Institutesen
pubs.organisational-group/Virginia Tech/University Research Institutes/Biocomplexity Instituteen
pubs.organisational-group/Virginia Tech/University Research Institutes/Biocomplexity Institute/Researchersen
pubs.organisational-group/Virginia Tech/University Research Institutes/Biocomplexity Institute/SelectedFaculty1en

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