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Quantitative Structure-Activity Relationship Study of Aromatic Inhibitors against Rat Lens Aldose - Reductase Activity using Variable Selections

DC Field Value Language
dc.contributor.author이은직-
dc.contributor.author이현철-
dc.date.accessioned2014-12-18T08:31:18Z-
dc.date.available2014-12-18T08:31:18Z-
dc.date.issued2013-
dc.identifier.urihttps://ir.ymlib.yonsei.ac.kr/handle/22282913/86464-
dc.description.abstractA quantitative structure-activity relationship (QSAR) study of aromatic inhibitors against aldose reductase (AR) activity was performed using variable selection from stepwise multiple linear regression (MLR) and genetic algorithm (GA)-MLR. As a result of variable selection, stepwise MLR and GA-MLR gave the same results with one, two, three and five descriptors and different results with four and six descriptors. GA-MLR produced higher values and was better in explanatory and predictive power than stepwise MLR in four variables. AR activity (pIC50) of aromatic derivatives was expressed with acceptable explanatory (74.6-81.2%) and predictive power (68.8-74.4%) in models 3 and 4. The resulting models with the given descriptors illustrate that hydrophobic and electrostatic interactions play a significant role in inhibition of AR activity. This study suggests that the QSAR models can be used as guidelines to predict improved aldose reductase inhibitory activity and to obtain reliable predictions in structurally diverse compounds.-
dc.description.statementOfResponsibilityopen-
dc.relation.isPartOfMEDICINAL CHEMISTRY-
dc.rightsCC BY-NC-ND 2.0 KR-
dc.rights.urihttps://creativecommons.org/licenses/by-nc-nd/2.0/kr/-
dc.subject.MESHAldehyde Reductase/antagonists & inhibitors*-
dc.subject.MESHAnimals-
dc.subject.MESHEnzyme Activation/drug effects-
dc.subject.MESHEnzyme Inhibitors/chemistry*-
dc.subject.MESHEnzyme Inhibitors/pharmacology*-
dc.subject.MESHHydrophobic and Hydrophilic Interactions-
dc.subject.MESHInhibitory Concentration 50-
dc.subject.MESHLens, Crystalline/enzymology*-
dc.subject.MESHModels, Biological*-
dc.subject.MESHMolecular Structure-
dc.subject.MESHQuantitative Structure-Activity Relationship-
dc.subject.MESHRats-
dc.titleQuantitative Structure-Activity Relationship Study of Aromatic Inhibitors against Rat Lens Aldose - Reductase Activity using Variable Selections-
dc.typeArticle-
dc.contributor.collegeCollege of Medicine (의과대학)-
dc.contributor.departmentDept. of Internal Medicine (내과학)-
dc.contributor.googleauthorMankil Jung-
dc.contributor.googleauthorYongnam Lee-
dc.contributor.googleauthorMinjoo Shim-
dc.contributor.googleauthorEunyoung Lim-
dc.contributor.googleauthorEun Jig Lee-
dc.contributor.googleauthorHyun Chul Lee-
dc.identifier.doi10.2174/1573406411309030012-
dc.admin.authorfalse-
dc.admin.mappingfalse-
dc.contributor.localIdA03050-
dc.contributor.localIdA03301-
dc.relation.journalcodeJ02212-
dc.identifier.eissn2161-0444-
dc.identifier.pmid22931492-
dc.identifier.urlhttp://www.eurekaselect.com/107537/article-
dc.subject.keywordAldose reductase (AR) inhibitors-
dc.subject.keywordPolylol pathway-
dc.subject.keywordQuantitative structure-activity relationship (QSAR)-
dc.subject.keywordMultiple linear regression (MLR)-
dc.subject.keywordGenetic algorithm (GA)-
dc.subject.keywordcell membranes-
dc.subject.keywordalcohol-
dc.subject.keywordglomerulus tissues-
dc.subject.keywordperipheral nerve-
dc.subject.keywordflavonoids-
dc.contributor.alternativeNameLee, Eun Jig-
dc.contributor.alternativeNameLee, Hyun Chul-
dc.contributor.affiliatedAuthorLee, Eun Jig-
dc.contributor.affiliatedAuthorLee, Hyun Chul-
dc.rights.accessRightsnot free-
dc.citation.volume9-
dc.citation.number3-
dc.citation.startPage410-
dc.citation.endPage419-
dc.identifier.bibliographicCitationMEDICINAL CHEMISTRY , Vol.9(3) : 410-419, 2013-
dc.identifier.rimsid28997-
dc.type.rimsART-
Appears in Collections:
1. College of Medicine (의과대학) > Dept. of Internal Medicine (내과학교실) > 1. Journal Papers

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