BACE1 inhibitors: Current status and future directions in treating Alzheimer's disease
Alzheimer's disease (AD) is an irreversible, progressive neurodegenerative brain disorder
with no current cure. One of the important therapeutic approaches of AD is the inhibition of β …
with no current cure. One of the important therapeutic approaches of AD is the inhibition of β …
Ligand-binding affinity estimates supported by quantum-mechanical methods
One of the largest challenges of computational chemistry is calculation of accurate free
energies for the binding of a small molecule to a biological macromolecule, which has …
energies for the binding of a small molecule to a biological macromolecule, which has …
Docking and molecular dynamic of microalgae compounds as potential inhibitors of beta-lactamase
Bacterial resistance is responsible for a wide variety of health problems, both in children and
adults. The persistence of symptoms and infections are mainly treated with β-lactam …
adults. The persistence of symptoms and infections are mainly treated with β-lactam …
Computational insights into the protonation states of catalytic dyad in BACE1–acyl guanidine based inhibitor complex
Develo** small compound based drugs targeting the β-secretase (BACE) enzyme is one
of the most promising strategies in treatment of the Alzheimer's disease. As the enzyme …
of the most promising strategies in treatment of the Alzheimer's disease. As the enzyme …
Fragment-based virtual screening approach and molecular dynamics simulation studies for identification of BACE1 inhibitor leads
P Manoharan, N Ghoshal - Journal of Biomolecular Structure and …, 2018 - Taylor & Francis
Traditional structure-based virtual screening method to identify drug-like small molecules for
BACE1 is so far unsuccessful. Location of BACE1, poor Blood Brain Barrier permeability and …
BACE1 is so far unsuccessful. Location of BACE1, poor Blood Brain Barrier permeability and …
Biological and computational evaluation of resveratrol inhibitors against Alzheimer's disease
C Koukoulitsa, C Villalonga-Barber… - Journal of enzyme …, 2016 - Taylor & Francis
It has been reported that beta amyloid induces production of radical oxygen species and
oxidative stress in neuronal cells, which in turn upregulates β-secretase (BACE-1) …
oxidative stress in neuronal cells, which in turn upregulates β-secretase (BACE-1) …
Artificial neural network models driven novel virtual screening workflow for the identification and biological evaluation of BACE1 inhibitors
Beta‐site amyloid‐β precursor protein‐cleaving enzyme 1 (BACE1) is a transmembrane
aspartic protease and has shown potential as a possible therapeutic target for Alzheimer's …
aspartic protease and has shown potential as a possible therapeutic target for Alzheimer's …
Scale alpha and beta of quantitative convergence and chemical reactivity analysis in dual cholinesterase/monoamine oxidase inhibitors for the Alzheimer disease …
A Morales-Bayuelo, R Baldiris… - Journal of Theoretical …, 2013 - Wiley Online Library
Molecular quantum similarity descriptors and Density Functional Theory (DFT) based
reactivity descriptors were studied for a series of cholinesterase/monoamine oxidase …
reactivity descriptors were studied for a series of cholinesterase/monoamine oxidase …
Cognitive enhancers (nootropics). Part 2: drugs interacting with enzymes
W Froestl, A Muhs, A Pfeifer - Journal of Alzheimer's Disease, 2013 - content.iospress.com
Cognitive enhancers (nootropics) are drugs to treat cognition deficits in patients suffering
from Alzheimer's disease, schizophrenia, stroke, attention deficit hyperactivity disorder, or …
from Alzheimer's disease, schizophrenia, stroke, attention deficit hyperactivity disorder, or …
Computational analysis of BACE1-ligand complex crystal structures and linear discriminant analysis for identification of BACE1 inhibitors with anti P-glycoprotein …
P Manoharan, K Chennoju… - Journal of Biomolecular …, 2018 - Taylor & Francis
More than 100 years of research on Alzheimer's disease didn't yield a potential cure for this
dreadful disease. Poor Blood Brain Barrier (BBB) permeability and P-glycoprotein binding of …
dreadful disease. Poor Blood Brain Barrier (BBB) permeability and P-glycoprotein binding of …