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Synthesis, biological evaluation, and molecular simulation of chalcones and aurones as selective MAO-B inhibitors

dc.contributor.authorMorales-Camilo N.
dc.contributor.authorSalas C.O.
dc.contributor.authorSanhueza C.
dc.contributor.authorEspinosa-Bustos C.
dc.contributor.authorSepúlveda-Boza S.
dc.contributor.authorReyes-Parada M.
dc.contributor.authorGonzalez-Nilo F.
dc.contributor.authorCaroli-Rezende M.
dc.contributor.authorFierro A.
dc.date.accessioned2020-09-02T22:23:38Z
dc.date.available2020-09-02T22:23:38Z
dc.date.issued2015
dc.identifier10.1111/cbdd.12458
dc.identifier.citation85, 6, 685-695
dc.identifier.issn17470277
dc.identifier.urihttps://hdl.handle.net/20.500.12728/5432
dc.descriptionA series of chalcones and aurones were synthesized and evaluated in vitro as monoamine oxidase inhibitors (MAOi). Our results show that aurones, which had not been previously reported as MAOi, are MAO-B inhibitors. Thus, both families inhibited selectively the B isoform of MAO in the micromolar range, offering novel scaffolds for the design of new and potent MAO inhibitors. The main structural requirements for their activity were characterized with the aid of 3D-QSAR and docking studies. © 2014 John Wiley & Sons A/S.
dc.language.isoen
dc.publisherBlackwell Publishing Ltd
dc.subjectaurones
dc.subjectchalcones
dc.subjectmolecular modeling
dc.subjectmonoamine oxidase inhibitors
dc.subjectQSAR
dc.subject1 (2 hydroxy 5 methoxyphenyl) 3 (2,4,5 trimethoxyphenyl)prop 2 en 1 one
dc.subject1 (2 hydroxy 6 methoxyphenyl) 3 (2,4,5 trimethoxyphenyl)prop 2 en 1 one
dc.subject2 (2,3 dimethoxybenzylidene) 4 methoxybenzofuran 3(2h) one
dc.subject2 (2,3 dimethoxybenzylidene) 5 methoxybenzofuran 3(2h) one
dc.subject2 (2,4,5 trimethoxybenzylidene) 4 methoxybenzofuran 3(2h) one
dc.subject2 (2,4,5 trimethoxybenzylidene) 5 methoxybenzofuran 3(2h) one
dc.subject2 (2,5 dimethoxybenzylidene) 4 methoxybenzofuran 3(2h) one
dc.subject2 (2,5 dimethoxybenzylidene) 5 methoxybenzofuran 3(2h) one
dc.subject2 (4 bromo 2,5 dimethoxybenzylidene) 4 methoxybenzofuran 3(2h) one
dc.subject2 (4 bromo 2,5 dimethoxybenzylidene) 5 methoxybenzofuran 3(2h) one
dc.subject3 (2,3 dimethoxyphenyl) 1 (2 hydroxy 5 methoxyphenyl)prop 2 en 1 one
dc.subject3 (2,3 dimethoxyphenyl) 1 (2 hydroxy 6 methoxyphenyl)prop 2 en 1 one
dc.subject3 (2,5 dimethoxyphenyl) 1 (2 hydroxy 5 methoxyphenyl)prop 2 en 1 one
dc.subject3 (2,5 dimethoxyphenyl) 1 (2 hydroxy 6 methoxyphenyl)prop 2 en 1 one
dc.subject3 (4 bromo 2,5 dimethoxyphenyl) 1 (2 hydroxy 5 methoxyphenyl)prop 2 en 1 one
dc.subject3 (4 bromo 2,5 dimethoxyphenyl) 1 (2 hydroxy 6 methoxyphenyl)prop 2 en 1 one
dc.subjectamine oxidase (flavin containing) isoenzyme B
dc.subjectaurone derivative
dc.subjectchalcone derivative
dc.subjectmonoamine oxidase B inhibitor
dc.subjectnatural products and their synthetic derivatives
dc.subjectunclassified drug
dc.subjectamine oxidase (flavin containing)
dc.subjectaurone
dc.subjectbenzofuran derivative
dc.subjectchalcone derivative
dc.subjectmonoamine oxidase inhibitor
dc.subjectArticle
dc.subjectbiological activity
dc.subjectdrug design
dc.subjectdrug screening
dc.subjectdrug synthesis
dc.subjectenzyme inhibition
dc.subjecthuman
dc.subjectIC50
dc.subjectin vitro study
dc.subjectmolecular docking
dc.subjectmolecular dynamics
dc.subjectmolecular mechanics
dc.subjectmolecular model
dc.subjectnonhuman
dc.subjectpriority journal
dc.subjectquantitative structure activity relation
dc.subjectrat
dc.subjectchemistry
dc.subjectmetabolism
dc.subjectsynthesis
dc.subjectBenzofurans
dc.subjectChalcones
dc.subjectHumans
dc.subjectMolecular Docking Simulation
dc.subjectMonoamine Oxidase
dc.subjectMonoamine Oxidase Inhibitors
dc.subjectQuantitative Structure-Activity Relationship
dc.titleSynthesis, biological evaluation, and molecular simulation of chalcones and aurones as selective MAO-B inhibitors
dc.typeArticle


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