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dc.creatorTubić, Biljana K.
dc.creatorDobričić, Vladimir
dc.creatorPoljarević, Jelena
dc.creatorSavić, Aleksandar
dc.creatorSabo, Tibor
dc.creatorMarković, Bojan D.
dc.date.accessioned2020-03-12T16:33:21Z
dc.date.available2022-02-24
dc.date.issued2020
dc.identifier.issn0731-7085
dc.identifier.urihttp://cherry.chem.bg.ac.rs/handle/123456789/3868
dc.identifier.urihttp://cherry.chem.bg.ac.rs/handle/123456789/3869
dc.description.abstractPassive gastrointestinal absorption and membrane retention of twelve esters of (S,S)-ethylenediamine-N,N'-di-2-(3-cyclohexyl)propanoic acid (EDCP) and (S,S)-1,3-propanediamine-N,N'-di-2-(3-cyclohexyl)propanoic acid (PDCP), as well as of these two non-esterified acids were estimated using PAMPA test. Artificial PAMPA membrane used in this study for the simulation of gastrointestinal barrier was solution of egg lecithin in dodecane (1 % w/v). All tested compounds belong to class III (high membrane retention and low permeation), whereas EDCP, dipentyl ester of PDCP (DPE-PDCP) and diisopentyl ester of PDCP (DIPE-PDCP) belong to class I (negligible membrane retention and low permeation). Finally, quantitative structure – permeability and structure – retention relationships models were created in order to find quantitative relationships between physico-chemical properties of tested compounds and PAMPA membrane permeability/membrane retention parameters. Statistically the most reliable models were analysed and used for the design of new compounds for which favourable membrane permeability and retention can be expected.
dc.publisherElsevier B.V.
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172041/RS//
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172035/RS//
dc.rightsembargoedAccess
dc.sourceJournal of Pharmaceutical and Biomedical Analysis
dc.subject(S,S)-ethylenediamine-N,N'-di-2-(3-cyclohexyl)propanoic acid and (S,S)-1,3-propanediamine-N,N'-di-2-(3-cyclohexyl)propanoic acid derivatives
dc.subjectMembrane permeability
dc.subjectMembrane retention
dc.subjectPAMPA
dc.titleEstimation of passive gastrointestinal absorption and membrane retention using PAMPA test, quantitative structure-permeability and quantitative structure-retention relationship analyses of ethylenediamine-N,N'-di-2-(3-cyclohexyl)propanoic acid and 1,3-propanediamine-N,N'-di-2-(3-cyclohexyl)propanoic acid derivatives
dc.typearticle
dc.rights.licenseBY-NC-ND
dcterms.abstractПољаревић, Јелена; Добричић, Владимир; Савић, Aлександар; Сабо, Тибор; Марковић, Бојан Д.; Тубић, Биљана К.;
dc.citation.volume184
dc.identifier.wos000527297500035
dc.identifier.doi10.1016/j.jpba.2020.113213
dc.citation.rankM21~
dc.description.otherSupplementary material: [http://cherry.chem.bg.ac.rs/handle/123456789/3870]
dc.description.otherThis is the peer-reviewed version of the following article: Tubić, B.; Dobričić, V.; Poljarević, J.; Savić, A.; Sabo, T.; Marković, B. Estimation of Passive Gastrointestinal Absorption and Membrane Retention Using PAMPA Test, Quantitative Structure-Permeability and Quantitative Structure-Retention Relationship Analyses of Ethylenediamine-N,N’-Di-2-(3-Cyclohexyl)Propanoic Acid and 1,3-Propanediamine-N,N’-Di-2-(3-Cyclohexyl)Propanoic Acid Derivatives. Journal of Pharmaceutical and Biomedical Analysis 2020, 184. [https://doi.org/10.1016/j.jpba.2020.113213]
dc.type.versionacceptedVersion
dc.identifier.scopus2-s2.0-85080081642


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