4.3 Article

Computational design of novel flavonoid analogues as potential AChE inhibitors: analysis using group-based QSAR, molecular docking and molecular dynamics simulations

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Biochemistry & Molecular Biology

Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments

G. Madhavi Sastry et al.

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2013)

Article Biochemical Research Methods

3D-QSAR studies of azaoxoisoaporphine, oxoaporphine, and oxoisoaporphine derivatives as anti-AChE and anti-AD agents by the CoMFA method

Yan-Ping Li et al.

JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2013)

Article Chemistry, Multidisciplinary

Molecular dynamics simulation study and molecular docking descriptors in structure-based QSAR on acetylcholinesterase (AChE) inhibitors

S. Gharaghani et al.

SAR AND QSAR IN ENVIRONMENTAL RESEARCH (2013)

Review Biochemistry & Molecular Biology

Alzheimer Mechanisms and Therapeutic Strategies

Yadong Huang et al.

Article Biochemistry & Molecular Biology

Computational Evidence to Inhibition of Human Acetyl Cholinesterase by Withanolide A for Alzheimer Treatment

Abhinav Grover et al.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2012)

Article Biochemistry & Molecular Biology

Neuroprotective effects of linarin through activation of the PI3K/Akt pathway in amyloid-β-induced neuronal cell death

Haiyan Lou et al.

BIOORGANIC & MEDICINAL CHEMISTRY (2011)

Article Biochemistry & Molecular Biology

Probing theα-Helical Structural Stability of Stapled p53 Peptides: Molecular Dynamics Simulations and Analysis

Zuojun Guo et al.

CHEMICAL BIOLOGY & DRUG DESIGN (2010)

Article Chemistry, Physical

Prediction of Absolute Solvation Free Energies using Molecular Dynamics Free Energy Perturbation and the OPLS Force Field

Devleena Shivakumar et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)

Article Biochemistry & Molecular Biology

Design, synthesis and evaluation of flavonoid derivatives as potent AChE inhibitors

Rong Sheng et al.

BIOORGANIC & MEDICINAL CHEMISTRY (2009)

Review Chemistry, Medicinal

Variable Selection Methods in QSAR: An Overview

Maykel Perez Gonzalez et al.

CURRENT TOPICS IN MEDICINAL CHEMISTRY (2008)

Article Chemistry, Multidisciplinary

Molecular docking and 3D-QSAR studies of 2-substituted 1-indanone derivatives as acetylcholinesterase inhibitors

Liang-liang Shen et al.

ACTA PHARMACOLOGICA SINICA (2007)

Article Chemistry, Medicinal

3D QSAR studies of AChE inhibitors based on molecular docking scores and CoMFA

Nagaraju Akula et al.

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2006)

Article Chemistry, Medicinal

Extra precision glide: Docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes

Richard A. Friesner et al.

JOURNAL OF MEDICINAL CHEMISTRY (2006)

Article Clinical Neurology

Genetic epidemiology of Alzheimer disease

Richard Mayeux

ALZHEIMER DISEASE & ASSOCIATED DISORDERS (2006)

Article Agriculture, Multidisciplinary

Effects of naturally occurring compounds on fibril formation and oxidative stress of β-amyloid

H Kim et al.

JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY (2005)

Article Clinical Neurology

The Interplay of Neurotransmitters in Alzheimer's Disease

Paul T. Francis

CNS SPECTRUMS (2005)

Article Chemistry, Medicinal

Glide: A new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy

RA Friesner et al.

JOURNAL OF MEDICINAL CHEMISTRY (2004)

Article Chemistry, Medicinal

Glide: A new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening

TA Halgren et al.

JOURNAL OF MEDICINAL CHEMISTRY (2004)

Review Pharmacology & Pharmacy

Alzheimer's disease:: the pharmacological pathway

H Allain et al.

FUNDAMENTAL & CLINICAL PHARMACOLOGY (2003)

Article Biochemistry & Molecular Biology

Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection

A Golbraikh et al.

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2002)

Review Clinical Neurology

Review of the next generation of Alzheimer's disease therapeutics: Challenges for drug development

NR Cutler et al.

PROGRESS IN NEURO-PSYCHOPHARMACOLOGY & BIOLOGICAL PSYCHIATRY (2001)