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dc.creatorSmajić, Miralem
dc.creatorNikolić, Katarina
dc.creatorVujić, Zorica
dc.creatorAhmetović, Lejla
dc.creatorKuntić, Vesna
dc.date.accessioned2019-09-02T11:51:37Z
dc.date.available2019-09-02T11:51:37Z
dc.date.issued2016
dc.identifier.issn1054-2523
dc.identifier.urihttp://farfar.pharmacy.bg.ac.rs/handle/123456789/2574
dc.description.abstractA 3D-QSAR model using the GRIND/ALMOND descriptors has been performed on a set of 49 angiotensin receptor blockers, also known as angiotensin II receptor antagonists, a family of agents that bind to and inhibit the angiotensin II type 1 receptor. The most commonly used chemical probes: DRY (hydrophobic interaction), O (carbonyl oxygen sp(2), hydrogen bond donor), N1 (NH neutral, hydrogen bond acceptor) and TIP (shape descriptor molecular forms) were derived from the GRID molecular interaction fields. A statistical approach was undertaken using the method of partial least squares within the Pentacle program. The results show satisfactory accuracy of the prediction model (RMSEE = 0.239, R-2 = 0.94, Q(2) = 0.85). The V597 (DRY-TIP) and V763 (O-TIP) represent the most significant variables that correlate positively with the activity of the ARBs. Thirty novel structures of ARBs were designed, according to the developed 3D-QSAR model and pharmacophore, what might set the basis for development of new antihypertensive drugs.en
dc.publisherSpringer Birkhauser, New York
dc.rightsrestrictedAccess
dc.sourceMedicinal Chemistry Research
dc.title3D-QSAR studies and pharmacophore identification of AT(1) receptor antagonistsen
dc.typearticle
dc.rights.licenseARR
dcterms.abstractСмајић, Миралем; Николић, Катарина; Вујић, Зорица; Aхметовић, Лејла; Кунтић, Весна;
dc.citation.volume25
dc.citation.issue1
dc.citation.spage51
dc.citation.epage61
dc.citation.other25(1): 51-61
dc.citation.rankM23
dc.identifier.wos000368548500005
dc.identifier.doi10.1007/s00044-015-1470-1
dc.identifier.scopus2-s2.0-84954304504
dc.identifier.rcubconv_3470
dc.type.versionpublishedVersion


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