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dc.creatorDobričić, Vladimir
dc.creatorJaćević, Vesna
dc.creatorVučićević, Jelica
dc.creatorNikolić, Katarina
dc.creatorVladimirov, Sote
dc.creatorČudina, Olivera
dc.date.accessioned2019-09-02T12:02:22Z
dc.date.available2019-09-02T12:02:22Z
dc.date.issued2017
dc.identifier.issn0365-6233
dc.identifier.urihttp://farfar.pharmacy.bg.ac.rs/handle/123456789/3001
dc.description.abstractSoft glucocorticoids are compounds that are biotransformed to inactive and non-toxic metabolites and have fewer side effects than traditional glucocorticoids. A new class of 17-carboxamide steroids has been recently introduced by our group. In this study, local anti-inflammatory activity of these derivatives was evaluated by use of the croton oil-induced ear edema test. Glucocorticoids with the highest maximal edema inhibition (MEI) were pointed out, and the systemic side effects of those with the lowest EC50 values were significantly lower in comparison to dexamethasone. A 3D-QSAR model was created and employed for the design of 27 compounds. By use of the sequential combination of ligand-based and structure-based virtual screening, three compounds were selected from the ChEMBL library and used as a starting point for the design of 15 derivatives. Molecular docking analysis of the designed derivatives with the highest predicted MEI and relative glucocorticoid receptor binding affinity (20, 22, 24-1, 25-1, 27, VS7, VS13, and VS14) confirmed the presence of interactions with the glucocorticoid receptor that are important for the activity.en
dc.publisherWiley-VCH Verlag GMBH, Weinheim
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172041/RS//
dc.rightsrestrictedAccess
dc.sourceArchiv der Pharmazie
dc.titleEvaluation of Biological Activity and Computer-Aided Design of New Soft Glucocorticoidsen
dc.typearticle
dc.rights.licenseARR
dcterms.abstractДобричић, Владимир; Владимиров, Соте; Чудина, Оливера; Јаћевић, Весна; Николић, Катарина; Вучићевић, Јелица;
dc.citation.volume350
dc.citation.issue5
dc.citation.other350(5): -
dc.citation.rankM22
dc.identifier.wos000400576700003
dc.identifier.doi10.1002/ardp.201600383
dc.identifier.pmid28418199
dc.identifier.scopus2-s2.0-85018833583
dc.identifier.rcubconv_3839
dc.type.versionpublishedVersion


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