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dc.date.accessioned 2010-05-04T17:59:00Z
dc.date.available 2010-05-04T03:00:00Z
dc.date.issued 2010 es
dc.identifier.uri http://hdl.handle.net/10915/7919
dc.description.abstract Fungi play a predominant role in microbial infections with serious health risk to immunocompromised individuals, including AIDS, cancer, diabetics, newborns and elderly patients. Fungi specific riboflavin metabolism involves lumazine synthase catalyzed synthesis of 6,7-dimethyl-8-D-ribityl lumazine which is converted to riboflavin by a riboflavin synthase. Therefore lumazine synthase has been targeted for design of newer antifungal agents. 32 novel N-substituted aryl amine derivatives have been designed, synthesized, characterized and screened as antifungals. Molecular modelling and docking studies with fungal lumazine synthase using the 32 inhibitors have elucidated unique binding areas within the active site of the enzyme. Amongst the selected 2-D QSAR descriptors, chiV3Cluster and Most +ve Potential show positive correlation with antifungal activity while XX Polarizability, XY Polarizability, Heat of Formation and Quadruple 3 show negative correlation with antifungal activity. es
dc.format.extent p. 362-368 es
dc.language en es
dc.title 2 D QSAR and docking of novel N-substitutedAryl amine derivatives as potential inhibitors of lumazine synthase es
dc.type Articulo es
sedici.identifier.uri http://www.latamjpharm.org/resumenes/29/3/LAJOP_29_3_1_6.pdf es
sedici.creator.person Bhatia, Manish S. es
sedici.creator.person Pakhare, Krishna D. es
sedici.creator.person Choudhari, Prafulla B. es
sedici.creator.person Kokare, Chandrakant R. es
sedici.subject.materias Farmacia es
sedici.subject.descriptores Farmacología es
sedici.subject.descriptores Inmunología es
sedici.subject.keyword 2 D QSAR; docking; lumazine synthase es
sedici.description.fulltext false es
mods.originInfo.place Colegio de Farmacéuticos de la Provincia de Buenos Aires es
sedici.subtype Articulo es
sedici.description.peerReview peer-review es
sedici2003.identifier ARG-FARM-ART-0000001405 es
sedici.relation.journalTitle Latin American Journal of Pharmacy es
sedici.relation.journalVolumeAndIssue vol. 29, no. 3 es


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