Qualitative and quantitative structure-activity relationships studies of quercetin derivatives as chemotherapeutic activity

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dc.authorid57202730154
dc.authorid22136501900
dc.authorid56175631600
dc.authorid15764678000
dc.authorid6602639857
dc.contributor.authorRouane A.
dc.contributor.authorTchouar N.
dc.contributor.authorKerassa A.
dc.contributor.authorCinar M.
dc.contributor.authorBelaidi S.
dc.date.accessioned20.04.201910:49:12
dc.date.accessioned2019-04-20T21:43:06Z
dc.date.available20.04.201910:49:12
dc.date.available2019-04-20T21:43:06Z
dc.date.issued2018
dc.departmentBayburt Üniversitesien_US
dc.description.abstractQualitative and Quantitative structure activity relationship (SAR/QSAR) analysis was applied to eighteen Quercetin derivatives using a combination of various physicochemical, steric, electronic, and structural molecular descriptors. A multiple linear regression (MLR) procedure was used to model the relationships between molecular descriptors and the chemotherapeutic activity of the Quercetin derivatives. The stepwise regression method was used to derive the most significant models as a calibration model for predicting the inhibitory activity of this class of molecules. The best QSAR models were further validated by a leave one out technique as well as by the calculation of statistical parameters for the established theoretical models. High agreement between experimental and predicted inhibitory values, obtained in the validation procedure, indicated the good quality of the derived QSAR models. Copyright © 2018 American Scientific Publishers All rights reserveden_US
dc.identifier.doi10.1166/jbns.2018.1511
dc.identifier.endpage283
dc.identifier.issn1557-7910
dc.identifier.issue2
dc.identifier.scopus2-s2.0-85049138984en_US
dc.identifier.scopusqualityN/Aen_US
dc.identifier.startpage278
dc.identifier.urihttps://dx.doi.org/10.1166/jbns.2018.1511
dc.identifier.urihttps://hdl.handle.net/20.500.12403/395
dc.identifier.volume12
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherAmerican Scientific Publishers
dc.relation.ispartofJournal of Bionanoscienceen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectChemotherapeutic activity
dc.subjectMLR
dc.subjectQSAR
dc.subjectQuercetin derivatives
dc.subjectSAR
dc.subjectDyes
dc.subjectFlavonoids
dc.subjectImpurities
dc.subjectLinear regression
dc.subjectMolecular graphics
dc.subjectOrganic chemicals
dc.subjectPhenols
dc.subjectToxic materials
dc.subjectChemotherapeutic activity
dc.subjectInhibitory activity
dc.subjectMolecular descriptors
dc.subjectMultiple linear regressions
dc.subjectQSAR
dc.subjectQuantitative structure activity relationship
dc.subjectStatistical parameters
dc.subjectStepwise regression method
dc.subjectComputational chemistry
dc.subjectChemotherapeutic activity
dc.subjectMLR
dc.subjectQSAR
dc.subjectQuercetin derivatives
dc.subjectSAR
dc.subjectDyes
dc.subjectFlavonoids
dc.subjectImpurities
dc.subjectLinear regression
dc.subjectMolecular graphics
dc.subjectOrganic chemicals
dc.subjectPhenols
dc.subjectToxic materials
dc.subjectChemotherapeutic activity
dc.subjectInhibitory activity
dc.subjectMolecular descriptors
dc.subjectMultiple linear regressions
dc.subjectQSAR
dc.subjectQuantitative structure activity relationship
dc.subjectStatistical parameters
dc.subjectStepwise regression method
dc.subjectComputational chemistry
dc.titleQualitative and quantitative structure-activity relationships studies of quercetin derivatives as chemotherapeutic activityen_US
dc.typeArticleen_US

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