[HTML][HTML] Multiple 3D-QSAR modeling, e-pharmacophore, molecular docking, and in vitro study to explore novel AChE inhibitors
Ligand-based and energy-optimized structure-based approaches were considered to obtain
excellent candidates as AChE inhibitors. The known AChE inhibitors were utilized to …
excellent candidates as AChE inhibitors. The known AChE inhibitors were utilized to …
[HTML][HTML] Discovery of novel acetylcholinesterase inhibitors as potential candidates for the treatment of Alzheimer's disease
Acetylcholinesterase (AChE) catalyzes the hydrolysis of neurotransmitter acetylcholine to
acetate and choline in a synaptic cleft. Deficits in cholinergic neurotransmitters are linked …
acetate and choline in a synaptic cleft. Deficits in cholinergic neurotransmitters are linked …
Identification of novel acetylcholinesterase inhibitors through e-pharmacophore-based virtual screening and molecular dynamics simulations
Alzheimer's disease (AD), a progressive neurodegenerative disorder is the most common
cause of dementia among elderly people. To date, the successful therapeutic strategy to …
cause of dementia among elderly people. To date, the successful therapeutic strategy to …
Combined 3D-QSAR, molecular docking, and molecular dynamics study of tacrine derivatives as potential acetylcholinesterase (AChE) inhibitors of Alzheimer's …
Acetylcholinesterase (AChE) is one of the key targets of drugs for treating Alzheimer's
disease (AD). Tacrine is an approved drug with AChE-inhibitory activity. In this paper, 3D …
disease (AD). Tacrine is an approved drug with AChE-inhibitory activity. In this paper, 3D …
Computational Prediction of 3, 5-Diaryl-1H-Pyrazole and spiropyrazolines derivatives as potential acetylcholinesterase inhibitors for alzheimer disease treatment by …
MA El Alaouy, M Alaqarbeh, M Ouabane… - Journal of …, 2023 - Taylor & Francis
The efficacy of 40 synthesized variants of 3, 5-diaryl-1H-pyrazole and spiropyrazoline'
derivatives as acetylcholinesterase inhibitors is verified using a quantitative three …
derivatives as acetylcholinesterase inhibitors is verified using a quantitative three …
[HTML][HTML] Probing the origins of human acetylcholinesterase inhibition via QSAR modeling and molecular docking
S Simeon, N Anuwongcharoen, W Shoombuatong… - PeerJ, 2016 - peerj.com
Alzheimer's disease (AD) is a chronic neurodegenerative disease which leads to the
gradual loss of neuronal cells. Several hypotheses for AD exists (eg, cholinergic, amyloid …
gradual loss of neuronal cells. Several hypotheses for AD exists (eg, cholinergic, amyloid …
Prospective atom-based 3D-QSAR model prediction, pharmacophore generation, and molecular docking study of carbamate derivatives as dual inhibitors of AChE …
Carbamates are well known for AChE as well as MAO inhibition. In this study, atom-based
3D-QSAR model generation, virtual screening, and molecular docking studies were …
3D-QSAR model generation, virtual screening, and molecular docking studies were …
3D-QSAR-based pharmacophore modelling of quinazoline derivatives for the identification of acetylcholinesterase inhibitors through virtual screening, molecular …
Alzheimer's disease (AD) is a progressive neurological disorder responsible for the
cognitive dysfunction and cognitive impairment in the patients. Acetylcholinesterase …
cognitive dysfunction and cognitive impairment in the patients. Acetylcholinesterase …
Discovery of new multifunctional selective acetylcholinesterase inhibitors: structure-based virtual screening and biological evaluation
CS Jiang, YX Ge, ZQ Cheng, JL Song, YY Wang… - Journal of Computer …, 2019 - Springer
Although the mechanism of Alzheimer's disease (AD) is still not fully understood, the
development of multifunctional AChE inhibitors remains a research focus for AD treatment …
development of multifunctional AChE inhibitors remains a research focus for AD treatment …
Design of novel amyloid β aggregation inhibitors using QSAR, pharmacophore modeling, molecular docking and ADME prediction
L Aswathy, RS Jisha, VH Masand, JM Gajbhiye… - In Silico …, 2018 - Springer
The inhibition of abnormal amyloid β (Aβ) aggregation has been regarded as a good target
to control Alzheimer's disease. The present study adopted 2D-QSAR, HQSAR and 3D QSAR …
to control Alzheimer's disease. The present study adopted 2D-QSAR, HQSAR and 3D QSAR …
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