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Design and synthesis of novel chalcones as potent selective monoamine oxidase-B inhibitors

AuthorHammuda, Arwa
AuthorShalaby, Raed
AuthorRovida, Stefano
AuthorEdmondson, Dale E.
AuthorBinda, Claudi
AuthorKhalil, Ashraf
Available date2021-09-01T10:03:33Z
Publication Date2016
Publication NameEuropean Journal of Medicinal Chemistry
ResourceScopus
URIhttp://dx.doi.org/10.1016/j.ejmech.2016.02.038
URIhttp://hdl.handle.net/10576/22503
AbstractA novel series of substituted chalcones were designed and synthesized to be evaluated as selective human MAO-B inhibitors. A combination of either methylsulfonyl or trifluoromethyl substituents on the aromatic ketone moiety with a benzodioxol ring on the other end of the chalcone scaffold was investigated. The compounds were tested for their inhibitory activities on both human MAO-A and B. All compounds appeared to be selective MAO-B inhibitors with Ki values in the micromolar to submicromolar range. Molecular modeling studies have been performed to get insight into the binding mode of the synthesized compounds to human MAO-B active site. 2016 Elsevier Masson SAS. All rights reserved.
SponsorThis work was supported by internal grants (# QUST-CPH-FALL-14?15-9 and QUST-CPH-SPR-14/15-9 ) from the Office of Academic Research, Qatar University , Doha, Qatar. C.B. is member of the collaborative network within the COST Action CM1103, Structure-based drug design for diagnosis and treatment of neurological diseases . We are grateful to Professor Neal Castagnoli Jr. Professor Emeritus, Virginia Tech for providing the MMTP substrate. The 2D-NMR spectra were recorded by Professor Khalid Elsayed, University of Louisiana at Monroe, USA.
Languageen
PublisherElsevier Masson SAS
Subject3 (2,3 dimethoxyphenyl) 1 [2 (trifluoromethyl)phenyl]prop 2 en 1 one
3 (2,3 dimethoxyphenyl) 1 [3 (trifluoromethoxy)phenyl]prop 2 en 1 one
3 (2,3 dimethoxyphenyl) 1 [3 (trifluoromethyl)phenyl]prop 2 en 1 one
3 (2,3 dimethoxyphenyl) 1 [4 (methylsulfonyl)phenyl]prop 2 en 1 one
3 (2,3 dimethoxyphenyl) 1 [4 (methylthio)phenyl)prop 2 en 1 one
3 (benzo[d][1,3]dioxol 4 yl) 1 [2 (trifluoromethyl)phenyl]prop 2 en 1 one
3 (benzo[d][1,3]dioxol 4 yl) 1 [3 (trifluoromethoxy)phenyl]prop 2 en 1 one
3 (benzo[d][1,3]dioxol 4 yl) 1 [3 (trifluoromethyl)phenyl]prop 2 en 1 one
3 (benzo[d][1,3]dioxol 4 yl) 1 [4 (methylsulfonyl)phenyl]prop 2 en 1 one
amine oxidase (flavin containing) isoenzyme A
amine oxidase (flavin containing) isoenzyme B
aromatic compound
chalcone derivative
ketone
monoamine oxidase B inhibitor
unclassified drug
amine oxidase (flavin containing)
chalcone derivative
monoamine oxidase inhibitor
animal cell
Article
binding affinity
binding site
controlled study
drug binding
drug design
drug potency
drug screening
drug selectivity
drug structure
drug synthesis
enzyme inhibition
hydrogen bond
IC50
insect cell
nonhuman
chemical structure
chemistry
dose response
human
metabolism
molecular docking
structure activity relation
synthesis
Chalcones
Dose-Response Relationship, Drug
Drug Design
Humans
Molecular Docking Simulation
Molecular Structure
Monoamine Oxidase
Monoamine Oxidase Inhibitors
Structure-Activity Relationship
TitleDesign and synthesis of novel chalcones as potent selective monoamine oxidase-B inhibitors
TypeArticle
Pagination162-169
Volume Number114
dc.accessType Abstract Only


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