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dc.creatorMilošević, Nataša P.
dc.creatorKojić, Vesna
dc.creatorCurcić, Jelena
dc.creatorJakimov, Dimitar
dc.creatorMilić, Nataša
dc.creatorBanjac, Nebojša
dc.creatorUšćumlić, Gordana
dc.creatorKaliszan, Roman
dc.date.accessioned2020-12-17T21:57:12Z
dc.date.available2020-12-17T21:57:12Z
dc.date.issued2017
dc.identifier.issn0731-7085
dc.identifier.urihttp://aspace.agrif.bg.ac.rs/handle/123456789/4397
dc.description.abstractDesign of a new drug entity is usually preceded by analysis of quantitative structure activity (properties) relationships, QSA(P)R. Six newly synthesized succinimide derivatives have been determined for (i) in silico physico-chemical descriptors, pharmacokinetic and toxicity predictors, (ii) in vitro biological activity on four different carcinoma cell lines and on normal fetal lung cells and (iii) lipophilicity on liquid chromatography. All compounds observed were predicted for good permeability and solubility, good oral absorption rate and moderate volume of distribution as well as for modest blood brain permeation, followed by acceptable observed toxicity. In silico determined lipophilicity, permeability through jejunum and aqueous solubility were correlated with experimentally obtained lipophilic constants (by use of high pressure liquid chromatography) and linear correlations were obtained. Absorption rate and volume of distribution were predicted by chromatographic lipophilicity measurements while permeation through blood bran barrier was predicted dominantly by molecular size defined with molecular weight. Five compounds have demonstrated antiproliferative activity toward cervix carcinoma HeLa cell lines; three were cytotoxic against breast carcinoma MCF-7 cells, while one inhibited proliferation of colon carcinoma HT 29 cell lines. Only one compound was cytotoxic toward normal cell lines, while other compounds were proven as safe. Antiproliferative potential against HeLa cells was described as exponential function of lipophilicity. Based on obtained results, lead compounds were selected.en
dc.publisherElsevier Science Bv, Amsterdam
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172013/RS//
dc.rightsrestrictedAccess
dc.sourceJournal of Pharmaceutical and Biomedical Analysis
dc.subjectAntiproliferative effecten
dc.subjectLipophilicityen
dc.subjectPharmacokineticsen
dc.subjectToxicologyen
dc.subjectQSA(P)Ren
dc.titleEvaluation of in silico pharmacokinetic properties and in vitro cytotoxic activity of selected newly synthesized N-succinimide derivativesen
dc.typearticle
dc.rights.licenseARR
dc.citation.epage257
dc.citation.other137: 252-257
dc.citation.rankM21
dc.citation.spage252
dc.citation.volume137
dc.identifier.doi10.1016/j.jpba.2017.01.042
dc.identifier.scopus2-s2.0-85012283810
dc.identifier.pmid28167418
dc.identifier.wos000395357100033
dc.type.versionpublishedVersion


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Приказ основних података о документу