[HTML][HTML] Therapeutic applications of mushrooms and their biomolecules along with a glimpse of in silico approach in neurodegenerative diseases
Neurodegenerative diseases (NDs) represent a common neurological pathology that
determines a progressive deterioration of the brain or the nervous system. For treating NDs …
determines a progressive deterioration of the brain or the nervous system. For treating NDs …
In silico studies in drug research against neurodegenerative diseases
FR Makhouri, JB Ghasemi - Current neuropharmacology, 2018 - ingentaconnect.com
Background: Neurodegenerative diseases such as Alzheimer's disease (AD), amyotrophic
lateral sclerosis, Parkinson's disease (PD), spinal cerebellar ataxias, and spinal and bulbar …
lateral sclerosis, Parkinson's disease (PD), spinal cerebellar ataxias, and spinal and bulbar …
Deciphering the interactions of bioactive compounds in selected traditional medicinal plants against Alzheimer's diseases via pharmacophore modeling, auto-QSAR …
Neurodegenerative diseases, for example Alzheimer's, are perceived as driven by
hereditary, cellular, and multifaceted biochemical actions. Numerous plant products, for …
hereditary, cellular, and multifaceted biochemical actions. Numerous plant products, for …
Task-agnostic graph explanations
Abstract Graph Neural Networks (GNNs) have emerged as powerful tools to encode graph-
structured data. Due to their broad applications, there is an increasing need to develop tools …
structured data. Due to their broad applications, there is an increasing need to develop tools …
Design of curcumin and flavonoid derivatives with acetylcholinesterase and beta-secretase inhibitory activities using in silico approaches
Acetylcholinesterase (AChE) and beta-secretase (BACE-1) are the two crucial enzymes
involved in the pathology of Alzheimer's disease. The former is responsible for many defects …
involved in the pathology of Alzheimer's disease. The former is responsible for many defects …
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 …
1, 3‐Diazepine: A privileged scaffold in medicinal chemistry
Y Malki, J Martinez, N Masurier - Medicinal Research Reviews, 2021 - Wiley Online Library
Privileged structures have been widely used as effective templates for drug discovery. While
benzo‐1, 4‐diazepine constitutes the first historical example of such a structure, the 1, 3 …
benzo‐1, 4‐diazepine constitutes the first historical example of such a structure, the 1, 3 …
Multi-target screening mines hesperidin as a multi-potent inhibitor: Implication in Alzheimer's disease therapeutics
S Chakraborty, J Bandyopadhyay… - European Journal of …, 2016 - Elsevier
Alzheimer's disease (AD) is the most frequent form of neurodegenerative disorder in elderly
people. Involvement of several pathogenic events and their interconnections make this …
people. Involvement of several pathogenic events and their interconnections make this …
Flavonoids as BACE1 inhibitors: QSAR modelling, screening and in vitro evaluation
S Das, T Majumder, A Sarkar, P Mukherjee… - International Journal of …, 2020 - Elsevier
Alzheimer's disease (AD) is marked by the presence of amyloid plaques, neurofibrillary
tangles, oxidatively damaged neuronal macromolecules and redox sensitive ions …
tangles, oxidatively damaged neuronal macromolecules and redox sensitive ions …
Exploring 2D-QSAR for prediction of beta-secretase 1 (BACE1) inhibitory activity against Alzheimer's disease
We have developed a robust quantitative structure–activity relationship (QSAR) model
employing a dataset of 98 heterocycle compounds to identify structural features responsible …
employing a dataset of 98 heterocycle compounds to identify structural features responsible …