Philippe Derreumaux

Status of Alzheimer’s and Parkinson’s Disease Detections and Treatments

Phuong H. Nguyen, Philippe Derreumaux

Alzheimer's disease and related dementias affect more than 55 million people worldwide, a number projected to double by 2050 as populations age. Beyond the devastating personal toll on patients and families, the global economic burden is estimated at approximately $1.3 trillion annually. …

fr (code pays fourni par la source)

Dynamics of Aβ42 Tetramer by REST2-CHARMM36m Simulations

Trung Hai Nguyen, Son Tung Ngo, Philippe Derreumaux, Phuong H. Nguyen

It has long been recognized that one-third of individuals with Alzheimer's disease (AD) have no cognitive deficit, underscoring the limitations of therapeutic strategies based solely on the amyloid cascade hypothesis. This observation does not negate the clinical relevance of targeting amyloid deposition …

vn, fr (code pays fourni par la source)

Status of Alzheimer and Parkinson Diseases Detections and Treatments

Nguyen, Phuong, H, Philippe Derreumaux

International audience

Varoglutamstat Inhibits the Dimerization of the Aβ25–35 Fragment in Aqueous Solution

Hoang Anh Nguyen, Trung Hai Nguyen, Van V. Vu, Philippe Derreumaux et autres

The self-aggregation of amyloid-beta (Aβ) peptides is strongly associated with Alzheimer’s disease. In this study, the influence of the small varoglutamstat compound on the conformations of the FAβ 25–35 dimer was extensively characterized by using MD simulations. The influence of the ligand …

vn, fr (code pays fourni par la source)

pH ‐Dependent β‐Strand Alignment of the Alzheimer's Amyloid‐β (16–22) Peptide

Junfeng Wan, Yin Luo, Philippe Derreumaux, Guanghong Wei et autres

The extracellular amyloid plaques of amyloid-β (Aβ) peptides formed in the human brain are an important pathological hallmark of Alzheimer's disease. There is evidence that pH affects the morphologies of fibrils and the kinetics of amyloid fibril formation. However, the underlying molecular …

cn, fr (code pays fourni par la source)

pH-dependent β-strand Alignment of the Alzheimer’s Amyloid-β(16-22) Peptide

Junfeng Wan, Yin Luo, Philippe Derreumaux, Guanghong Wei et autres

The extracellular amyloid plaques of β-amyloid (Aβ) peptides formed in the human brain are an important pathological hallmark of Alzheimer’s disease. There is evidence that pH affects the morphologies of fibrils and the kinetics of amyloid fibril formation. However, the underlying molecular …

cn, fr (code pays fourni par la source)

Impact of Amidation on Aβ 25–35 Aggregation

Judith C. E. Etaka, Yan Lü, Wei Kang, Freddie R. Salsbury et autres

Toxic oligomeric species are suspected in the etiology of Alzheimer’s disease. The full-length Aβ 42 can be studied by the fragment Aβ 25–35 as it retains neurotoxicity. According to experimental studies, amidation of the Aβ 25–35 carboxyl terminal decreases fibrillation activity while …

cn, us, fr (code pays fourni par la source)

Fluid flow and amyloid transport and aggregation in the brain interstitial space

Antonio Iorio, Simone Melchionna, Philippe Derreumaux, Fabio Sterpone

Abstract The driving mechanisms at the base of the clearance of biological wastes in the brain interstitial space (ISS) are still poorly understood and an actively debated subject. A complete comprehension of the processes that lead to the aggregation of amyloid proteins …

fr, us (code pays fourni par la source)

Structural Insight into Melatonin’s Influence on the Conformation of Aβ42 Dimer Studied by Molecular Dynamics Simulation

Wei Kang, Yan Lü, Judith C. E. Etaka, Freddie R. Salsbury et autres

The accumulation of amyloid-beta ( Aβ ) oligomers is recognized as a potential culprit in Alzheimer’s disease (AD). Experimental studies show that melatonin, a hormone that mainly regulates circadian rhythm and sleep, can interact with Aβ peptides and disrupt the formation of …

cn, us, fr (code pays fourni par la source)

Stability and cavitation of nanobubble: Insights from large-scale atomistic molecular dynamics simulations

Viet Hoang Man, Mai Suan Li, Philippe Derreumaux, Phuong H. Nguyen

We perform large-scale atomistic simulations of a system containing 12 × 106 atoms, comprising an oxygen gas-filled bubble immersed in water, to understand the stability and cavitation induced by ultrasound. First, we propose a method to construct a bubble/water system. For a …

us, cz, pl, fr (code pays fourni par la source)

Dynamics and Structures of Amyloid Aggregates under Fluid Flows

Antonio Iorio, Simone Melchionna, Philippe Derreumaux, Fabio Sterpone

peptides and mechanically perturb their (pre)fibrillar aggregates. We exploit the OPEP coarse-grained model for proteins and the Lattice Boltzmann Molecular Dynamics technique. We show that beyond a critical shear rate, amyloid aggregation speeds up in Couette flow because of the shorter collisions …

fr, us (code pays fourni par la source)

Data from: Dynamics and Structures of Amyloid Aggregates Under Fluid Flows

Antonio Iorio, Simone Melchionna, Philippe Derreumaux, Fabio Sterpone

This data accompanies the paper entitled Dynamics and Structures of Amyloid Aggregates Under Fluid Flows. The zip archive contains the results of Lattice Boltzmann Molecular Dynamics simulations of the systems investigated and presented in the manuscript. Trajectories are in XYZ format and …

fr (code pays fourni par la source)