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2-Aryl-3-(arylideneamino)-1,2-dihydroquinazoline-4(3H)-ones as inhibitors of cholinesterases and self-induced β-amyloid (Aβ) aggregation: biological evaluations and mechanistic insights from molecular dynamics simulations

A series of 2-aryl-3-(arylideneamino)-1,2-dihydroquinazoline-4(3H)-ones were evaluated as inhibitors of acetylcholinesterase (AChE), butyrylcholinesterase (BuChE) and self-induced β-amyloid (Aβ) aggregation. All the compounds were found to inhibit both forms of cholinesterase (IC50 in the range 4-32...

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Main Authors: Sukumaran, Sri Devi, Faraj, Fadhil Lafta, Lee, Vannajan Sanghiran, Othman, Rozana, Buckle, Michael James Christopher
Format: Article
Published: Royal Society of Chemistry 2018
Subjects:
Q Science (General)
QD Chemistry
R Medicine
Online Access:http://eprints.um.edu.my/20600/
https://doi.org/10.1039/c7ra11872d
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spelling my.um.eprints.206002019-03-05T02:11:19Z http://eprints.um.edu.my/20600/ 2-Aryl-3-(arylideneamino)-1,2-dihydroquinazoline-4(3H)-ones as inhibitors of cholinesterases and self-induced β-amyloid (Aβ) aggregation: biological evaluations and mechanistic insights from molecular dynamics simulations Sukumaran, Sri Devi Faraj, Fadhil Lafta Lee, Vannajan Sanghiran Othman, Rozana Buckle, Michael James Christopher Q Science (General) QD Chemistry R Medicine A series of 2-aryl-3-(arylideneamino)-1,2-dihydroquinazoline-4(3H)-ones were evaluated as inhibitors of acetylcholinesterase (AChE), butyrylcholinesterase (BuChE) and self-induced β-amyloid (Aβ) aggregation. All the compounds were found to inhibit both forms of cholinesterase (IC50 in the range 4-32 μM) with some selectivity for BuChE. Most of the compounds also showed self-induced Aβ aggregation inhibitory activities, which were comparable or higher than those obtained for reference compounds, curcumin and myricetin. Docking and molecular dynamics (MD) simulation experiments suggested that the compounds are able to disrupt the dimer form of Aβ. Royal Society of Chemistry 2018 Article PeerReviewed Sukumaran, Sri Devi and Faraj, Fadhil Lafta and Lee, Vannajan Sanghiran and Othman, Rozana and Buckle, Michael James Christopher (2018) 2-Aryl-3-(arylideneamino)-1,2-dihydroquinazoline-4(3H)-ones as inhibitors of cholinesterases and self-induced β-amyloid (Aβ) aggregation: biological evaluations and mechanistic insights from molecular dynamics simulations. RSC Advances, 8 (14). pp. 7818-7831. ISSN 2046-2069 https://doi.org/10.1039/c7ra11872d doi:10.1039/c7ra11872d
institution Universiti Malaya
building UM Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Malaya
content_source UM Research Repository
url_provider http://eprints.um.edu.my/
topic Q Science (General)
QD Chemistry
R Medicine
spellingShingle Q Science (General)
QD Chemistry
R Medicine
Sukumaran, Sri Devi
Faraj, Fadhil Lafta
Lee, Vannajan Sanghiran
Othman, Rozana
Buckle, Michael James Christopher
2-Aryl-3-(arylideneamino)-1,2-dihydroquinazoline-4(3H)-ones as inhibitors of cholinesterases and self-induced β-amyloid (Aβ) aggregation: biological evaluations and mechanistic insights from molecular dynamics simulations
description A series of 2-aryl-3-(arylideneamino)-1,2-dihydroquinazoline-4(3H)-ones were evaluated as inhibitors of acetylcholinesterase (AChE), butyrylcholinesterase (BuChE) and self-induced β-amyloid (Aβ) aggregation. All the compounds were found to inhibit both forms of cholinesterase (IC50 in the range 4-32 μM) with some selectivity for BuChE. Most of the compounds also showed self-induced Aβ aggregation inhibitory activities, which were comparable or higher than those obtained for reference compounds, curcumin and myricetin. Docking and molecular dynamics (MD) simulation experiments suggested that the compounds are able to disrupt the dimer form of Aβ.
format Article
author Sukumaran, Sri Devi
Faraj, Fadhil Lafta
Lee, Vannajan Sanghiran
Othman, Rozana
Buckle, Michael James Christopher
author_facet Sukumaran, Sri Devi
Faraj, Fadhil Lafta
Lee, Vannajan Sanghiran
Othman, Rozana
Buckle, Michael James Christopher
author_sort Sukumaran, Sri Devi
title 2-Aryl-3-(arylideneamino)-1,2-dihydroquinazoline-4(3H)-ones as inhibitors of cholinesterases and self-induced β-amyloid (Aβ) aggregation: biological evaluations and mechanistic insights from molecular dynamics simulations
title_short 2-Aryl-3-(arylideneamino)-1,2-dihydroquinazoline-4(3H)-ones as inhibitors of cholinesterases and self-induced β-amyloid (Aβ) aggregation: biological evaluations and mechanistic insights from molecular dynamics simulations
title_full 2-Aryl-3-(arylideneamino)-1,2-dihydroquinazoline-4(3H)-ones as inhibitors of cholinesterases and self-induced β-amyloid (Aβ) aggregation: biological evaluations and mechanistic insights from molecular dynamics simulations
title_fullStr 2-Aryl-3-(arylideneamino)-1,2-dihydroquinazoline-4(3H)-ones as inhibitors of cholinesterases and self-induced β-amyloid (Aβ) aggregation: biological evaluations and mechanistic insights from molecular dynamics simulations
title_full_unstemmed 2-Aryl-3-(arylideneamino)-1,2-dihydroquinazoline-4(3H)-ones as inhibitors of cholinesterases and self-induced β-amyloid (Aβ) aggregation: biological evaluations and mechanistic insights from molecular dynamics simulations
title_sort 2-aryl-3-(arylideneamino)-1,2-dihydroquinazoline-4(3h)-ones as inhibitors of cholinesterases and self-induced β-amyloid (aβ) aggregation: biological evaluations and mechanistic insights from molecular dynamics simulations
publisher Royal Society of Chemistry
publishDate 2018
url http://eprints.um.edu.my/20600/
https://doi.org/10.1039/c7ra11872d
_version_ 1643691326833688576
score 13.223943

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