Virtual Screening as a Technique for PPAR Modulator Discovery
dc.contributor.author | Lewis, Stephanie N. | en |
dc.contributor.author | Bassaganya-Riera, Josep | en |
dc.contributor.author | Bevan, David R. | en |
dc.contributor.department | Biochemistry | en |
dc.contributor.department | Fralin Life Sciences Institute | en |
dc.date.accessioned | 2016-12-23T14:38:31Z | en |
dc.date.available | 2016-12-23T14:38:31Z | en |
dc.date.issued | 2010-01-01 | en |
dc.description.abstract | Virtual 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.version | Published version | en |
dc.format.extent | 10 page(s) | en |
dc.format.mimetype | application/pdf | en |
dc.identifier.citation | Stephanie 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:10.1155/2010/861238 | en |
dc.identifier.doi | https://doi.org/10.1155/2010/861238 | en |
dc.identifier.issn | 1687-4757 | en |
dc.identifier.uri | http://hdl.handle.net/10919/73811 | en |
dc.language.iso | en | en |
dc.publisher | Hindawi | en |
dc.relation.uri | http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000283428900001&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=930d57c9ac61a043676db62af60056c1 | en |
dc.rights | Creative Commons Attribution 3.0 Unported | en |
dc.rights.holder | Copyright © 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.uri | http://creativecommons.org/licenses/by/3.0/ | en |
dc.subject | Medicine, Research & Experimental | en |
dc.subject | Research & Experimental Medicine | en |
dc.subject | MEDICINE, RESEARCH & EXPERIMENTAL | en |
dc.subject | ACTIVATED-RECEPTOR-GAMMA | en |
dc.subject | LIGAND-BINDING DOMAIN | en |
dc.subject | ALPHA/GAMMA DUAL AGONISTS | en |
dc.subject | STRUCTURE-BASED DESIGN | en |
dc.subject | CRYSTAL-STRUCTURE | en |
dc.subject | BIOLOGICAL-ACTIVITIES | en |
dc.subject | STRUCTURAL BASIS | en |
dc.subject | FATTY-ACIDS | en |
dc.subject | DIHYDROFOLATE-REDUCTASE | en |
dc.subject | MOLECULAR DOCKING | en |
dc.title | Virtual Screening as a Technique for PPAR Modulator Discovery | en |
dc.title.serial | PPAR Research | en |
dc.type | Article - Refereed | en |
dc.type | Review | en |
dc.type.dcmitype | Text | en |
pubs.organisational-group | /Virginia Tech | en |
pubs.organisational-group | /Virginia Tech/Agriculture & Life Sciences | en |
pubs.organisational-group | /Virginia Tech/Agriculture & Life Sciences/Biochemistry | en |
pubs.organisational-group | /Virginia Tech/Agriculture & Life Sciences/CALS T&R Faculty | en |
pubs.organisational-group | /Virginia Tech/All T&R Faculty | en |
pubs.organisational-group | /Virginia Tech/Faculty of Health Sciences | en |
pubs.organisational-group | /Virginia Tech/University Research Institutes | en |
pubs.organisational-group | /Virginia Tech/University Research Institutes/Biocomplexity Institute | en |
pubs.organisational-group | /Virginia Tech/University Research Institutes/Biocomplexity Institute/Researchers | en |
pubs.organisational-group | /Virginia Tech/University Research Institutes/Biocomplexity Institute/SelectedFaculty1 | en |
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