Molecular Modeling on Berberine Derivatives toward BuChE: An Integrated Study with Quantitative Structure-Activity Relationships Models, Molecular Docking, and Molecular Dynamics Simulations

Discovery of Multitarget-Directed Ligands against Alzheimer’s Disease through Systematic Prediction of Chemical–Protein Interactions

(2015) Jiansong Fang et al.   Journal of Chemical Information and Modeling

Modeling of Compound Profiling Experiments Using Support Vector Machines

(2014) Jenny Balfer et al.   Chemical Biology & Drug Design

TS-Chemscore, a Target-Specific Scoring Function, Significantly Improves the Performance of Scoring in Virtual Screening

(2014) Wen-Jing Wang et al.   Chemical Biology & Drug Design

Consensus models for CDK5 inhibitors in silico and their application to inhibitor discovery

(2014) Jiansong Fang et al.   MOLECULAR DIVERSITY

Crystal structures of human cholinesterases in complex with huprine W and tacrine: elements of specificity for anti-Alzheimer's drugs targeting acetyl- and butyryl-cholinesterase

(2013) Florian Nachon et al.   BIOCHEMICAL JOURNAL

Modeling in vitro inhibition of butyrylcholinesterase using molecular docking, multi-linear regression and artificial neural network approaches

(2013) Fang Zheng et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Molecular Dynamics-Based Virtual Screening: Accelerating the Drug Discovery Process by High-Performance Computing

(2013) Hu Ge et al.   Journal of Chemical Information and Modeling

Predictions of BuChE Inhibitors Using Support Vector Machine and Naive Bayesian Classification Techniques in Drug Discovery

(2013) Jiansong Fang et al.   Journal of Chemical Information and Modeling

Discovery of New Selective Human Aldose Reductase Inhibitors through Virtual Screening Multiple Binding Pocket Conformations

(2013) Ling Wang et al.   Journal of Chemical Information and Modeling

Using self-organizing map (SOM) and support vector machine (SVM) for classification of selectivity of ACAT inhibitors

(2012) Ling Wang et al.   MOLECULAR DIVERSITY

Hologram QSAR Models of 4-[(Diethylamino)methyl]-phenol Inhibitors of Acetyl/Butyrylcholinesterase Enzymes as Potential Anti-Alzheimer Agents

(2012) Simone Decembrino de Souza et al.   MOLECULES

LIBSVM

(2012) Chih-Chung Chang et al.   ACM Transactions on Intelligent Systems and Technology

Synthesis, biological evaluation and molecular modeling of novel triazole-containing berberine derivatives as acetylcholinesterase and β-amyloid aggregation inhibitors

(2011) Anding Shi et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Benzenediol-berberine hybrids: Multifunctional agents for Alzheimer’s disease

(2011) Huailei Jiang et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Prediction of biological activity of Aurora-A kinase inhibitors by multilinear regression analysis and support vector machine

(2011) Aixia Yan et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Berberine: A Potential Multipotent Natural Product to Combat Alzheimer’s Disease

(2011) Hong-Fang Ji et al.   MOLECULES

Design, synthesis, evaluation and QSAR analysis of N1-substituted norcymserine derivatives as selective butyrylcholinesterase inhibitors

(2010) Jun Takahashi et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Berberine derivatives, with substituted amino groups linked at the 9-position, as inhibitors of acetylcholinesterase/butyrylcholinesterase

(2010) Ling Huang et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Alzheimer's Disease

(2010) Henry W. Querfurth et al.   NEW ENGLAND JOURNAL OF MEDICINE

Anti-Alzheimer and Antioxidant Activities of Coptidis Rhizoma Alkaloids

(2009) Hyun Ah Jung et al.   BIOLOGICAL & PHARMACEUTICAL BULLETIN

Synthesis, biological evaluation, and molecular modeling of berberine derivatives as potent acetylcholinesterase inhibitors

(2009) Ling Huang et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Receptor-Based Modeling and 3D-QSAR for a Quantitative Production of the Butyrylcholinesterase Inhibitors Based on Genetic Algorithm

(2008) Reaz Uddin et al.   Journal of Chemical Information and Modeling