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dc.creatorTrišović, Nemanja
dc.creatorValentić, Nataša
dc.creatorUšćumlić, Gordana
dc.date.accessioned2021-03-10T11:35:33Z
dc.date.available2021-03-10T11:35:33Z
dc.date.issued2011
dc.identifier.issn1752-153X
dc.identifier.urihttp://TechnoRep.tmf.bg.ac.rs/handle/123456789/1894
dc.description.abstractConsidering the pharmaceutical importance of hydantoins, a set of 25 derivatives of phenytoin, nirvanol and 5-methyl-5-phenylhydantoin, the lipophilicities of which were gradually increased by the introduction of different alkyl, cycloalkyl and alkenyl groups in position N3, was synthesized. Their properties under consideration were either estimated empirically, by UV/Vis spectroscopy, or calculated using established medicinal chemistry software. The UV absorption spectra of the investigated compounds were recorded in the region from 200 to 400 nm, in selected solvents of different polarities. The effects of solvent dipolarity/polarizability and solvent-solute hydrogen bonding interactions were analyzed by means of the linear solvation energy relationship (LSER) concept proposed by Kamlet and Taft. Furthermore, the relationships between solvent-solute interactions and selected structural features of the solutes, which are believed to markedly affect the processes of absorption, distribution, metabolism, excretion and toxicity (ADMETox), were discussed. Satisfactory correlations were found between hydrogen bonding properties and solute size and the in silico calculated bioactivity descriptors, in particular %Abs. (human intestinal absorption), log BB (blood-brain barrier permeation) and log k(A) (protein binding affinities) parameters. In view of the results of this study, the investigated hydantoin derivatives met the pharmacokinetic criteria for pre-selection as drug candidates and qualified them for the pharmacodynamic phase of antiepileptic drug development.en
dc.publisherBiomed Central Ltd, London
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172013/RS//
dc.rightsopenAccess
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/
dc.sourceChemistry Central Journal
dc.titleSolvent effects on the structure-property relationship of anticonvulsant hydantoin derivatives: A solvatochromic analysisen
dc.typearticle
dc.rights.licenseBY
dc.citation.other5: -
dc.citation.rankM21
dc.citation.volume5
dc.identifier.doi10.1186/1752-153X-5-62
dc.identifier.fulltexthttp://TechnoRep.tmf.bg.ac.rs/bitstream/id/8679/1752-153X-5-62.pdf
dc.identifier.pmid21999701
dc.identifier.scopus2-s2.0-80053940110
dc.identifier.wos000297315300001
dc.type.versionpublishedVersion


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Приказ основних података о документу