Machine learning-assisted prediction of the biological activity of aromatase inhibitors and data mining to explore similar compounds
Designing molecules for drugs has been a hot topic for many decades. However, it is hard
and expensive to find a new molecule. Thus, the cost of the final drug is also increased …
and expensive to find a new molecule. Thus, the cost of the final drug is also increased …
ABCpred: a webserver for the discovery of acetyl-and butyryl-cholinesterase inhibitors
AA Malik, SC Ojha, N Schaduangrat… - Molecular Diversity, 2022 - Springer
Alzheimer's disease (AD) is one of the most common forms of dementia and is associated
with a decline in cognitive function and language ability. The deficiency of the cholinergic …
with a decline in cognitive function and language ability. The deficiency of the cholinergic …
Design, synthesis, and biological evaluation of novel (4-(1, 2, 4-oxadiazol-5-yl) phenyl)-2-aminoacetamide derivatives as multifunctional agents for the treatment of …
T Liu, S Chen, J Du, S Xing, R Li, Z Li - European journal of medicinal …, 2022 - Elsevier
On the basis of our previous work, a novel series of (4-(1, 2, 4-oxadiazol-5-yl) phenyl)-2-
aminoacetamide derivatives were synthesized and evaluated as multifunctional ligands for …
aminoacetamide derivatives were synthesized and evaluated as multifunctional ligands for …
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) …
Multi-target QSAR modeling for the identification of novel inhibitors against Alzheimer's disease
Alzheimer's disease (AD) is an age-related neurodegenerative disorder, which is the most
common cause of dementia in elderly individuals. It is characterized by selective neuronal …
common cause of dementia in elderly individuals. It is characterized by selective neuronal …
Recent Progress in the Treatment Strategies for Alzheimer's Disease
Alzheimer's disease (AD) is a neurological ailment that affects older people and causes a
steady decline in their cognitive function. The cognitive impairments found are presumed to …
steady decline in their cognitive function. The cognitive impairments found are presumed to …
Discovery of promising cholinesterase inhibitors for Alzheimer's disease treatment through DFT, docking, and molecular dynamics studies of eugenol derivatives
Cholinesterase enzymes are promising drug targets for the symptomatic treatment of
Alzheimer's disease. Indeed, the activity inhibition of these acetylcholine‐degrading …
Alzheimer's disease. Indeed, the activity inhibition of these acetylcholine‐degrading …
[HTML][HTML] Phytochemical profiling of Blumea laciniata (Roxb.) DC. and its phytopharmaceutical potential against diabetic, obesity, and Alzheimer's
Abstract Blumea laciniata (Roxb.) DC. is a folk medicinal annual herb of the Asteraceae
family that grows in South and Southeast Asia. In order to evaluate its phytopharmaceutical …
family that grows in South and Southeast Asia. In order to evaluate its phytopharmaceutical …
Three to Tango: Inhibitory effect of quercetin and apigenin on acetylcholinesterase, amyloid-β aggregation and acetylcholinesterase-amyloid interaction
One of the pathological hallmarks of Alzheimer's disease (AD) is the formation of amyloid-β
plaques. Since acetylcholinesterase (AChE) promotes the formation of such plaques, the …
plaques. Since acetylcholinesterase (AChE) promotes the formation of such plaques, the …
Multi-combined QSAR, molecular docking, molecular dynamics simulation, and ADMET of Flavonoid derivatives as potent cholinesterase inhibitors
H Soufi, M Moussaoui, S Baammi… - Journal of …, 2024 - Taylor & Francis
In searching for a new and efficient therapeutic agent against Alzheimer's disease, a
Quantitative structure-activity relationship (QSAR) was derived for 45 Flavonoid derivatives …
Quantitative structure-activity relationship (QSAR) was derived for 45 Flavonoid derivatives …