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dc.contributor.authorLoughlin, Wendy A
dc.contributor.authorPierens, Gregory K
dc.contributor.authorPetersson, Maria J
dc.contributor.authorHenderson, Luke C
dc.contributor.authorHealy, Peter C
dc.date.accessioned2017-05-03T12:22:33Z
dc.date.available2017-05-03T12:22:33Z
dc.date.issued2008
dc.date.modified2011-06-09T22:41:39Z
dc.identifier.issn0968-0896
dc.identifier.doi10.1016/j.bmc.2008.04.047
dc.identifier.urihttp://hdl.handle.net/10072/21673
dc.description.abstractThe lipophilicity, permeability, solubility, polar surface area and 'rule-of-five' properties were assessed, using QikProp v2.5 (Schr椩nger, Inc.) and ALOGPS 2.1 calculations, for 25 Hyphodermin derivatives. These compounds obeyed the 'rule of five', and the calculated physicochemical values were generally within desired limits. All compounds were tested against Glycogen Phosphorylase a (GPa). Four phenyl and benzyl substituted 2-oxo-hexahydro and tetrahydrobenzo[cd]indole carboxylic acids were identified as novel inhibitors of GPa with estimated IC50 values in the range 0.8-1.3 mM. Molecular modeling of these novel inhibitors was used to obtain the main structural features of this class of molecule for future structure-activity relationship studies.
dc.description.peerreviewedYes
dc.description.publicationstatusYes
dc.languageEnglish
dc.language.isoeng
dc.publisherPergamon
dc.publisher.placeUnited Kingdom
dc.relation.ispartofstudentpublicationN
dc.relation.ispartofpagefrom6172
dc.relation.ispartofpageto6178
dc.relation.ispartofissue11
dc.relation.ispartofjournalBioorganic & Medicinal Chemistry
dc.relation.ispartofvolume16
dc.rights.retentionY
dc.subject.fieldofresearchMedicinal and biomolecular chemistry
dc.subject.fieldofresearchOrganic chemistry
dc.subject.fieldofresearchPharmacology and pharmaceutical sciences
dc.subject.fieldofresearchBiochemistry and cell biology
dc.subject.fieldofresearchcode3404
dc.subject.fieldofresearchcode3405
dc.subject.fieldofresearchcode3214
dc.subject.fieldofresearchcode3101
dc.titleEvaluation of novel Hyphodermin derivatives as Glycogen Phosphorylase a inhibitors
dc.typeJournal article
dc.type.descriptionC1 - Articles
dc.type.codeC - Journal Articles
gro.date.issued2008
gro.hasfulltextNo Full Text
gro.griffith.authorHealy, Peter C.
gro.griffith.authorLoughlin, Wendy A.


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