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dc.creatorApostolov, Suzana
dc.creatorMijin, Dušan
dc.creatorPetrović, Slobodan
dc.creatorVastag, Gyongyi
dc.date.accessioned2021-03-10T09:32:54Z
dc.date.available2021-03-10T09:32:54Z
dc.date.issued2020
dc.identifier.issn1082-6076
dc.identifier.urihttp://TechnoRep.tmf.bg.ac.rs/handle/123456789/9
dc.description.abstractThe selected diphenylacetamide derivatives were subjected to chromatographic and in silico approach in order to obtain significant information about their structure-activity relationships. As an early step in the assessment of their biological profile, drug-likeness and lead-likeness rules were performed, as well as determination of the bioactivity scores. The relationships between the obtained chromatographic parameters and the relevant software lipophilicity/pharmacokinetic/toxicity predictors of the studied derivatives were examined by linear regression and multivariate methods. Beside the satisfactory linear relationships obtained for each applied system, the multivariate methods gave more concrete relations between the analyzed parameters of biological activity. Higher similarity between the chromatographic parameters (R (M) (0), C (0)), standard measure of lipophilicity and pharmacokinetic predictors was confirmed, while the chromatographic parameter m obtained in the same conditions exhibits better agreement with the bioactivity scores and toxicity parameters. Also, it was observed that the values of diphenylacetamide's biological activity parameters are in the greatest extent conditioned by the polarity of the substituent presented in its molecule.en
dc.publisherTaylor & Francis Inc, Philadelphia
dc.relationinfo:eu-repo/grantAgreement/MESTD/inst-2020/200125/RS//
dc.rightsrestrictedAccess
dc.sourceJournal of Liquid Chromatography & Related Technologies
dc.subjectBiological activity parametersen
dc.subjectchromatographic parametersen
dc.subjectdiphenylacetamidesen
dc.subjectdrugen
dc.subjectlead-likeness rulesen
dc.subjectmultivariate methodsen
dc.titleIn silico approach in the assessment of chromatographic parameters as descriptors of diphenylacetamides' biological/pharmacological profileen
dc.typearticle
dc.rights.licenseARR
dc.identifier.doi10.1080/10826076.2020.1835672
dc.identifier.rcubconv_6237
dc.identifier.scopus2-s2.0-85094175385
dc.identifier.wos000581141500001
dc.type.versionpublishedVersion


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