Multitarget compounds bearing tacrine-and donepezil-like structural and functional motifs for the potential treatment of Alzheimer's disease
L Ismaili, B Refouvelet, M Benchekroun, S Brogi… - Progress in …, 2017 - Elsevier
Alzheimer's disease is a multifactorial and fatal neurodegenerative disorder characterized
by decline of cholinergic function, deregulation of other neurotransmitter systems, β-amyloid …
by decline of cholinergic function, deregulation of other neurotransmitter systems, β-amyloid …
Recent advances in virtual screening for cholinesterase inhibitors
Alzheimer's disease (AD) is a significant health crisis, and current treatments provide only
limited benefits to cognition at the cost of serious side effects. Recently, virtual screening …
limited benefits to cognition at the cost of serious side effects. Recently, virtual screening …
Machine learning models for predicting the activity of AChE and BACE1 dual inhibitors for the treatment of Alzheimer's disease
G Dhamodharan, CG Mohan - Molecular Diversity, 2022 - Springer
Multi-target directed ligand-based 2D-QSAR models were developed using different N-
benzyl piperidine derivatives showing inhibitory activity toward acetylcholinesterase (AChE) …
benzyl piperidine derivatives showing inhibitory activity toward acetylcholinesterase (AChE) …
Understanding the Structure–Function Relationship of Lysozyme Resistance in Staphylococcus aureus by Peptidoglycan O-Acetylation Using Molecular Docking …
Lysozyme is an important component of the host innate defense system. It cleaves the β-1, 4
glycosidic bonds between N-acetylmuramic acid and N-acetylglucosamine of bacterial …
glycosidic bonds between N-acetylmuramic acid and N-acetylglucosamine of bacterial …
Dual inhibitors of AChE and BACE-1 for reducing Aβ in Alzheimer's disease: from in silico to in vivo
N Stern, A Gacs, E Tátrai, B Flachner, I Hajdú… - International Journal of …, 2022 - mdpi.com
Alzheimer's disease (AD) is a complex and widespread condition, still not fully understood
and with no cure yet. Amyloid beta (Aβ) peptide is suspected to be a major cause of AD, and …
and with no cure yet. Amyloid beta (Aβ) peptide is suspected to be a major cause of AD, and …
Integration of in silico modeling, prediction by binding energy and experimental approach to study the amorphous chitin nanocarriers for cancer drug delivery
In silico modeling of the polymer–drug nanocarriers have now days became a powerful
virtual screening tool for the optimization of new drug delivery systems. The interactions …
virtual screening tool for the optimization of new drug delivery systems. The interactions …
Hydrazone–sulfonate hybrids as potential cholinesterase inhibitors: design, synthesis and molecular modeling simulation
MA Omar, RA El-Shiekh, DH Dawood… - Future Medicinal …, 2023 - Taylor & Francis
Aim: Design and synthesis of a series of hydrazone–sulfonate hybrids, 5a–r. Methodology:
The inhibitory properties of the synthesized compounds against acetylcholinesterase and …
The inhibitory properties of the synthesized compounds against acetylcholinesterase and …
Multifunctional iron-chelators with protective roles against neurodegenerative diseases
A Nunes, SM Marques, C Quintanova, DF Silva… - Dalton …, 2013 - pubs.rsc.org
The multifactorial nature of Alzheimer's disease (AD), and the absence of a disease
modifying drug, makes the development of new multifunctional drugs an attractive …
modifying drug, makes the development of new multifunctional drugs an attractive …
Dual binding site and selective acetylcholinesterase inhibitors derived from integrated pharmacophore models and sequential virtual screening
In this study, we have employed in silico methodology combining double pharmacophore
based screening, molecular docking, and ADME/T filtering to identify dual binding site …
based screening, molecular docking, and ADME/T filtering to identify dual binding site …
Molecular dynamics simulation and 3D-pharmacophore analysis of new quinoline-based analogues with dual potential against EGFR and VEGFR-2
Epidermal growth factor and vascular endothelial growth factor-2 are important targets of
tyrosine kinase for the treatment of various cancerous diseases. Combination of inhibition of …
tyrosine kinase for the treatment of various cancerous diseases. Combination of inhibition of …