NSAIDs as potential treatment option for preventing amyloid β toxicity in Alzheimer’s disease: an investigation by docking, molecular dynamics, and DFT studies

In silico investigation on the inhibition of Aβ42 aggregation by Aβ40 peptide by potential of mean force study

(2017) Mary Dutta et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Modulation in the conformational and stability attributes of the Alzheimer’s disease associated amyloid-beta mutants and their favorable stabilization by curcumin: molecular dynamics simulation analysis

(2017) Manika Awasthi et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Sulindac Sulfide Induces the Formation of Large Oligomeric Aggregates of the Alzheimer’s Disease Amyloid-β Peptide Which Exhibit Reduced Neurotoxicity

(2016) Elke Prade et al.   BIOCHEMISTRY

Inhibition of islet amyloid polypeptide aggregation and associated cytotoxicity by nonsteroidal anti-inflammatory drugs

(2016) Jessica S. Fortin et al.   CANADIAN JOURNAL OF PHYSIOLOGY AND PHARMACOLOGY

Targeting neuroinflammation in Alzheimer’s disease: evidence for NSAIDs and novel therapeutics

(2016) William James Deardorff et al.   Expert Review of Neurotherapeutics

Structural insight into GRIP1-PDZ6 in Alzheimer’s disease: study from protein expression data to molecular dynamics simulations

(2016) Paulami Chatterjee et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Identification of abelson tyrosine kinase inhibitors as potential therapeutics for Alzheimer’s disease using multiple e-pharmacophore modeling and molecular dynamics

(2016) Ravichand Palakurti et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Identification of molecular descriptors for design of novel Isoalloxazine derivatives as potential Acetylcholinesterase inhibitors against Alzheimer’s disease

(2016) Arun Bahadur Gurung et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Alzheimer's disease: An overview of amyloid beta dependent pathogenesis and its therapeutic implications along with in silico approaches emphasizing the role of natural products

(2016) Manika Awasthi et al.   JOURNAL OF THE NEUROLOGICAL SCIENCES

Molecular docking and simulation studies to give insight of surfactin amyloid interaction for destabilizing Alzheimer’s Aβ42 protofibrils

(2016) Ashish Verma et al.   MEDICINAL CHEMISTRY RESEARCH

NSAIDs protect neurons and preserve memory in a mouse model of AD

(2016) Hemi Malkki   Nature Reviews Neurology

Mechanisms of nonsteroidal anti-inflammatory drugs in cancer prevention

(2016) Asad Umar et al.   SEMINARS IN ONCOLOGY

Fenamate NSAIDs inhibit the NLRP3 inflammasome and protect against Alzheimer’s disease in rodent models

(2016) Michael J. D. Daniels et al.   Nature Communications

Targeting neuroinflammation in Alzheimer’s disease: evidence for NSAIDs and novel therapeutics

(2016) William James Deardorff et al.   Expert Review of Neurotherapeutics

Evolution of Nonsteroidal Anti-Inflammatory Drugs (NSAIDs): Cyclooxygenase (COX) Inhibition and Beyond

(2016) Praveen Rao et al.   JOURNAL OF PHARMACY AND PHARMACEUTICAL SCIENCES

Molecular mechanisms linking amyloid β toxicity and Tau hyperphosphorylation in Alzheimer׳s disease

(2015) A. Lloret et al.   FREE RADICAL BIOLOGY AND MEDICINE

Structural Mechanism of the Interaction of Alzheimer Disease Aβ Fibrils with the Non-steroidal Anti-inflammatory Drug (NSAID) Sulindac Sulfide

(2015) Elke Prade et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Molecular perception of interactions between bis(7)tacrine and cystamine-tacrine dimer with cholinesterases as the promising proposed agents for the treatment of Alzheimer’s disease

(2015) Mahboobeh Eslami et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Molecular insight into amyloid oligomer destabilizing mechanism of flavonoid derivative 2-(4′ benzyloxyphenyl)-3-hydroxy-chromen-4-one through docking and molecular dynamics simulations

(2015) Akhil Kumar et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins

(2015) Edward Harder et al.   Journal of Chemical Theory and Computation

Investigation of the Binding Profiles of AZD2184 and Thioflavin T with Amyloid-β(1–42) Fibril by Molecular Docking and Molecular Dynamics Methods

(2015) Guanglin Kuang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Destabilization of Alzheimer’s Aβ42 Protofibrils with a Novel Drug Candidate wgx-50 by Molecular Dynamics Simulations

(2015) Huai-Meng Fan et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular interaction studies of green tea catechins as multitarget drug candidates for the treatment of Parkinson’s disease: computational and structural insights

(2015) Faizul Azam et al.   NETWORK-COMPUTATION IN NEURAL SYSTEMS

Anti-endotoxin effects of terpenoids fraction fromHygrophila auriculatain lipopolysaccharide-induced septic shock in rats

(2015) Md. Sarfaraj Hussain et al.   PHARMACEUTICAL BIOLOGY

Potent γ-secretase inhibitors/modulators interact with amyloid-β fibrils but do not inhibit fibrillation: A high-resolution NMR study

(2014) Ravichandran Yesuvadian et al.   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

Capping of Aβ42 Oligomers by Small Molecule Inhibitors

(2014) Ziao Fu et al.   BIOCHEMISTRY

Quantum-Chemical Insight into Structure–Reactivity Relationship in 4,5,6,7-Tetrahalogeno-1H-benzimidazoles: A Combined X-ray, DSC, DFT/QTAIM, Hirshfeld Surface-Based, and Molecular Docking Approach

(2014) Jolanta Natalia Latosińska et al.   JOURNAL OF PHYSICAL CHEMISTRY A

The Flavonoid Derivative 2-(4′ Benzyloxyphenyl)-3-hydroxy-chromen-4-one Protects Against Aβ42-Induced Neurodegeneration in Transgenic Drosophila: Insights from In Silico and In Vivo Studies

(2014) Sandeep Kumar Singh et al.   NEUROTOXICITY RESEARCH

Ginger components as new leads for the design and development of novel multi-targeted anti-Alzheimer’s drugs: a computational investigation

(2014) Faizul Azam et al.   Drug Design Development and Therapy

Understanding Amyloid Fibril Nucleation and Aβ Oligomer/Drug Interactions from Computer Simulations

(2013) Phuong Nguyen et al.   ACCOUNTS OF CHEMICAL RESEARCH

2013 Alzheimer's disease facts and figures

(2013)   Alzheimers & Dementia

Insights into Aβ Aggregation: A Molecular Dynamics Perspective

(2013) Joan-Emma Shea et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Insights on the Binding of Thioflavin Derivative Markers to Amyloid-Like Fibril Models from Quantum Chemical Calculations

(2013) Jorge Alí-Torres et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The Pathogenic Aβ43 Is Enriched in Familial and Sporadic Alzheimer Disease

(2013) Anna Sandebring et al.   PLoS One

Anti-Aggregating Effect of the Naturally Occurring Dipeptide Carnosine on Aβ1-42 Fibril Formation

(2013) Alessandra Aloisi et al.   PLoS One

Lifting the veil on amyloid drug design

(2013) Kathryn E Tiller et al.   eLife

The Role of Molecular Simulations in the Development of Inhibitors of Amyloid β-Peptide Aggregation for the Treatment of Alzheimer’s Disease

(2012) Justin A. Lemkul et al.   ACS Chemical Neuroscience

Mechanisms of Action of Non-Steroidal Anti-Inflammatory Drugs for the Prevention of Alzheimers Disease

(2012) Greg M. Cole et al.   CNS & Neurological Disorders-Drug Targets

Curcumin Binds to Aβ1–40 Peptides and Fibrils Stronger Than Ibuprofen and Naproxen

(2012) Son Tung Ngo et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Structure-Based Design, Synthesis and Molecular Modeling Studies of Thiazolyl Urea Derivatives as Novel Anti-Parkinsonian Agents

(2012) Faizul Azam et al.   Medicinal Chemistry

Top-leads from natural products for treatment of Alzheimer's disease: docking and molecular dynamics study

(2012) Son Tung Ngo et al.   MOLECULAR SIMULATION

NSAID-Based γ-Secretase Modulators Do Not Bind to the Amyloid-β Polypeptide

(2011) Paul J. Barrett et al.   BIOCHEMISTRY

Alzheimer's Disease Drug Candidates Stabilize A-β Protein Native Structure by Interacting with the Hydrophobic Core

(2011) Jie Li et al.   BIOPHYSICAL JOURNAL

Alzheimer's disease

(2011) Clive Ballard et al.   LANCET

Structure-based design, synthesis, and molecular modeling studies of 1-(benzo[d]thiazol-2-yl)-3-(substituted aryl)urea derivatives as novel anti-Parkinsonian agents

(2011) Faizul Azam et al.   MEDICINAL CHEMISTRY RESEARCH

The Amyloid Precursor Protein C-Terminal Fragment C100 Occurs in Monomeric and Dimeric Stable Conformations and Binds γ-Secretase Modulators

(2010) Anne Botev et al.   BIOCHEMISTRY

Anti-inflammatory Agents: Present and Future

(2010) Charles A. Dinarello   CELL

Combating oxidative stress in epilepsy: Design, synthesis, quantum chemical studies and anticonvulsant evaluation of 1-(substituted benzylidene/ethylidene)-4-(naphthalen-1-yl)semicarbazides

(2010) Faizul Azam et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Neuroprotective strategies involving ROS in Alzheimer disease

(2010) Magali Dumont et al.   FREE RADICAL BIOLOGY AND MEDICINE

Stabilization of neurotoxic Alzheimer amyloid-  oligomers by protein engineering

(2010) A. Sandberg et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Amyloid beta 42 peptide (A 42)-lowering compounds directly bind to A  and interfere with amyloid precursor protein (APP) transmembrane dimerization

(2010) L. Richter et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

An update on the efficacy of non-steroidal anti-inflammatory drugs in Alzheimer's disease

(2009) Bruno P Imbimbo   EXPERT OPINION ON INVESTIGATIONAL DRUGS

NSAIDs prevent, but do not reverse, neuronal cell cycle reentry in a mouse model of Alzheimer disease

(2009) Nicholas H. Varvel et al.   JOURNAL OF CLINICAL INVESTIGATION

Temperature-Induced Dissociation of Aβ Monomers from Amyloid Fibril

(2008) Takako Takeda et al.   BIOPHYSICAL JOURNAL

Role of the Region 23-28 in Aβ Fibril Formation: Insights from Simulations of the Monomers and Dimers of Alzheimers Peptides Aβ40 and Aβ42

(2008) Adrien Melquiond et al.   Current Alzheimer Research

Non-Steroidal Anti-Inflammatory Drugs as Anti-Amyloidogenic Compounds

(2008) Mie Hirohata et al.   CURRENT PHARMACEUTICAL DESIGN

Substrate-targeting γ-secretase modulators

(2008) Thomas L. Kukar et al.   NATURE

Protective effects of NSAIDs on the development of Alzheimer disease

(2008) Steven C. Vlad et al.   NEUROLOGY