Identification of a novel dual inhibitor of acetylcholinesterase and butyrylcholinesterase: in vitro and in silico studies

RBM de Almeida, DB Barbosa, MR do Bomfim… - Pharmaceuticals, 2023 - mdpi.com
The enhancement of cholinergic functions via acetylcholinesterase (AChE) and
butyrylcholinesterase (BuChE) inhibition is considered a valuable therapeutic strategy for …

Novel thiophene Chalcones-Coumarin as acetylcholinesterase inhibitors: Design, synthesis, biological evaluation, molecular docking, ADMET prediction and …

AH Hasan, S Murugesan, SI Amran, S Chander… - Bioorganic …, 2022 - Elsevier
A series of around eight novel chalcone based coumarin derivatives (23a-h) was designed,
subjected to in-silico ADMET prediction, synthesized, characterized by IR, NMR, Mass …

Inhibition of acetylcholinesterase and butyrylcholinesterase with uracil derivatives: kinetic and computational studies

H Cavdar, M Senturk, M Guney, S Durdagi… - Journal of enzyme …, 2019 - Taylor & Francis
Abstract Acetylcholinesterase (AChE) and Butyrylcholinesterase (BuChE) inhibitors are
interesting compounds for different therapeutic applications, among which Alzheimer's …

Design and synthesis of new dual binding site cholinesterase inhibitors: in vitro inhibition studies with in silico docking

M Yar, M Bajda, R Atif Mehmood… - Letters in drug …, 2014 - ingentaconnect.com
Cholinesterases (ChEs) play a vital role in the regulation of cholinergic transmission. The
inhibition of ChEs is considered to be involved in increasing acetylcholine level in the brain …

Combined QSAR, molecular docking and molecular dynamics study on new Acetylcholinesterase and Butyrylcholinesterase inhibitors

I Daoud, N Melkemi, T Salah, S Ghalem - Computational biology and …, 2018 - Elsevier
Background and purpose This work deals with several molecular modeling methods used to
discover new therapeutic agents for treating the Alzheimer's disease (AD). The cholinergic …

Synthesis, biological evaluation, and in silico studies of new acetylcholinesterase inhibitors based on quinoxaline scaffold

P Suwanhom, J Saetang, P Khongkow, T Nualnoi… - Molecules, 2021 - mdpi.com
A quinoxaline scaffold exhibits various bioactivities in pharmacotherapeutic interests. In this
research, twelve quinoxaline derivatives were synthesized and evaluated as new …

QSAR, docking, dynamic simulation and quantum mechanics studies to explore the recognition properties of cholinesterase binding sites

J Correa-Basurto, M Bello… - Chemico-biological …, 2014 - Elsevier
A set of 84 known N-aryl-monosubstituted derivatives (42 amides: series 1 and 2, and 42
imides: series 3 an 4, from maleic and succinic anhydrides, respectively) that display …

Targeting Alzheimer's disease by investigating previously unexplored chemical space surrounding the cholinesterase inhibitor donepezil

DG van Greunen, W Cordier, M Nell… - European Journal of …, 2017 - Elsevier
A series of twenty seven acetylcholinesterase inhibitors, as potential agents for the treatment
of Alzheimer's disease, were designed and synthesised based upon previously unexplored …

Novel series of triazole containing coumarin and isatin based hybrid molecules as acetylcholinesterase inhibitors

K Bhagat, JV Singh, A Sharma, A Kaur, N Kumar… - Journal of Molecular …, 2021 - Elsevier
Novel series of coumarin-triazole and isatin-triazole hybrids were rationally designed,
synthesized and biologically evaluated to check their inhibitory potential against …

Synthesis, molecular docking and molecular dynamics studies of novel tacrine-carbamate derivatives as potent cholinesterase inhibitors

O Ozten, BZ Kurt, F Sonmez, B Dogan, S Durdagi - Bioorganic Chemistry, 2021 - Elsevier
In the present study, new tacrine derivatives containing carbamate group were synthesized
and their acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) inhibition …