Mechanistic Insights into Polyphenols’ Aggregation Inhibition of α-Synuclein and Related Peptides

Aggregation of a Parkinson’s Disease-Related Peptide: When Does Urea Weaken Hydrophobic Interactions?

(2022) N. Galamba   ACS Chemical Neuroscience

Single residue modulators of amyloid formation in the N-terminal P1-region of α-synuclein

(2022) Sabine M. Ulamec et al.   Nature Communications

Resveratrol in Rodent Models of Parkinson’s Disease: A Systematic Review of Experimental Studies

(2021) Cheng-Fu Su et al.   Frontiers in Pharmacology

Resveratrol (RV): A pharmacological review and call for further research

(2021) Li-Xue Zhang et al.   BIOMEDICINE & PHARMACOTHERAPY

Effect of urea on the hydration and aggregation of hydrophobic and amphiphilic solute models: Implications to protein aggregation

(2021) P. Xavier et al.   JOURNAL OF CHEMICAL PHYSICS

Free energy convergence in short- and long-length hydrophobic hydration

(2021) Nuno Galamba   JOURNAL OF MOLECULAR LIQUIDS

Improving resveratrol bioavailability using water-in-oil-in-water (W/O/W) emulsion: Physicochemical stability, in vitro digestion resistivity and transport properties

(2021) Aimin Shi et al.   Journal of Functional Foods

Computational investigation on the effect of Oleuropein aglycone on the α-synuclein aggregation

(2020) Priyanka Borah et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

A short motif in the N-terminal region of α-synuclein is critical for both aggregation and function

(2020) Ciaran P. A. Doherty et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Resveratrol Derivatives as Potential Treatments for Alzheimer’s and Parkinson’s Disease

(2020) Bruno Dutra Arbo et al.   Frontiers in Aging Neuroscience

Oleuropein derivatives from olive fruit extracts reduce α-synuclein fibrillation and oligomer toxicity

(2019) Hossein Mohammad-Beigi et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

A Coarse-Grained Molecular Dynamics Approach to the Study of the Intrinsically Disordered Protein α-Synuclein

(2019) Rafael Ramis et al.   Journal of Chemical Information and Modeling

Resveratrol prevents p53 aggregation in vitro and in breast cancer cells

(2018) Danielly C. Ferraz da Costa et al.   Oncotarget

Oleuropein aglycone stabilizes the monomeric α-synuclein and favours the growth of non-toxic aggregates

(2018) Luana Palazzi et al.   Scientific Reports

Targeting Amyloid Aggregation: An Overview of Strategies and Mechanisms

(2018) Sofia Giorgetti et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Recent advances in discovery and development of natural products as source for anti-Parkinson's disease lead compounds

(2017) Hongjia Zhang et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

α-Synuclein aggregation modulation: an emerging approach for the treatment of Parkinson's disease

(2017) Sushil K Singh et al.   Future Medicinal Chemistry

Approaches for Calculating Solvation Free Energies and Enthalpies Demonstrated with an Update of the FreeSolv Database

(2017) Guilherme Duarte Ramos Matos et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Protein misfolding in neurodegenerative diseases: implications and strategies

(2017) Patrick Sweeney et al.   Translational Neurodegeneration

Solid-state NMR structure of a pathogenic fibril of full-length human α-synuclein

(2016) Marcus D Tuttle et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Solid-state NMR structure of a pathogenic fibril of full-length human α-synuclein

(2016) Marcus D Tuttle et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

β-Sheet interfering molecules acting against β-amyloid aggregation and fibrillogenesis

(2015) Antonio Francioso et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Inhibition of protein aggregation and amyloid formation by small molecules

(2015) Andrew J Doig et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Transient β-hairpin formation in α-synuclein monomer revealed by coarse-grained molecular dynamics simulation

(2015) Hang Yu et al.   JOURNAL OF CHEMICAL PHYSICS

Water Dispersion Interactions Strongly Influence Simulated Structural Properties of Disordered Protein States

(2015) Stefano Piana et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Anti-amyloid Aggregation Activity of Natural Compounds: Implications for Alzheimer’s Drug Discovery

(2015) Xian-Le Bu et al.   MOLECULAR NEUROBIOLOGY

Structure of the toxic core of α-synuclein from invisible crystals

(2015) Jose A. Rodriguez et al.   NATURE

β-Cyclodextrin and Curcumin, a Potent Cocktail for Disaggregating and/or Inhibiting Amyloids: A Case Study with α-Synuclein

(2014) Saurabh Gautam et al.   BIOCHEMISTRY

Gallic acid interacts with α-synuclein to prevent the structural collapse necessary for its aggregation

(2014) Yanqin Liu et al.   BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS

Early oligomerization stages for the non-amyloid component of α-synuclein amyloid

(2014) Cindie Eugene et al.   JOURNAL OF CHEMICAL PHYSICS

Chemistry: Chemical con artists foil drug discovery

(2014) Jonathan Baell et al.   NATURE

A series of PDB-related databanks for everyday needs

(2014) Wouter G. Touw et al.   NUCLEIC ACIDS RESEARCH

Gallic acid is the major component of grape seed extract that inhibits amyloid fibril formation

(2013) Yanqin Liu et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Protein Folding and Aggregation into Amyloid: The Interference by Natural Phenolic Compounds

(2013) Massimo Stefani et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Predictive Atomic Resolution Descriptions of Intrinsically Disordered hTau40 and α-Synuclein in Solution from NMR and Small Angle Scattering

(2013) Martin Schwalbe et al.   STRUCTURE

Curcumin Modulates α-Synuclein Aggregation and Toxicity

(2012) Pradeep K. Singh et al.   ACS Chemical Neuroscience

Curcumin Prevents Aggregation in α-Synuclein by Increasing Reconfiguration Rate

(2012) Basir Ahmad et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Automation of the CHARMM General Force Field (CGenFF) II: Assignment of Bonded Parameters and Partial Atomic Charges

(2012) K. Vanommeslaeghe et al.   Journal of Chemical Information and Modeling

Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ1 and χ2 Dihedral Angles

(2012) Robert B. Best et al.   Journal of Chemical Theory and Computation

The binding of resveratrol to monomer and fibril amyloid beta

(2012) Jin-Fang Ge et al.   NEUROCHEMISTRY INTERNATIONAL

Inhibition and disaggregation of α-synuclein oligomers by natural polyphenolic compounds

(2011) Mario Caruana et al.   FEBS LETTERS

Administration of resveratrol: What formulation solutions to bioavailability limitations?

(2011) A. Amri et al.   JOURNAL OF CONTROLLED RELEASE

Curcumin protects against A53T alpha-synuclein-induced toxicity in a PC12 inducible cell model for Parkinsonism

(2011) Zhaohui Liu et al.   PHARMACOLOGICAL RESEARCH

In vivo demonstration that  -synuclein oligomers are toxic

(2011) B. Winner et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Polyphenols and Human Health: Prevention of Disease and Mechanisms of Action

(2011) David Vauzour et al.   Nutrients

Umbrella sampling

(2011) Johannes Kästner   Wiley Interdisciplinary Reviews-Computational Molecular Science

Neuroprotective effects of curcumin on 6-hydroxydopamine-induced Parkinsonism in rats: Behavioral, neurochemical and immunohistochemical studies

(2010) Gulrana Khuwaja et al.   BRAIN RESEARCH

Resveratrol Selectively Remodels Soluble Oligomers and Fibrils of Amyloid Aβ into Off-pathway Conformers

(2010) Ali Reza A. Ladiwala et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

g_wham—A Free Weighted Histogram Analysis Implementation Including Robust Error and Autocorrelation Estimates

(2010) Jochen S. Hub et al.   Journal of Chemical Theory and Computation

Protein aggregation diseases: pathogenicity and therapeutic perspectives

(2010) Adriano Aguzzi et al.   NATURE REVIEWS DRUG DISCOVERY

Charge interactions can dominate the dimensions of intrinsically disordered proteins

(2010) S. Muller-Spath et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

EGCG remodels mature α-synuclein and amyloid-β fibrils and reduces cellular toxicity

(2010) Jan Bieschke et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Molecular Mechanisms Underlying the Flavonoid-Induced Inhibition of α-Synuclein Fibrillation

(2009) Xiaoyun Meng et al.   BIOCHEMISTRY

Inhibiting Islet Amyloid Polypeptide Fibril Formation by the Red Wine Compound Resveratrol

(2009) Rajesh Mishra et al.   CHEMBIOCHEM

Pre-fibrillar α-synuclein variants with impaired β-structure increase neurotoxicity in Parkinson's disease models

(2009) Damla Pinar Karpinar et al.   EMBO JOURNAL

Resveratrol inhibits beta-amyloid oligomeric cytotoxicity but does not prevent oligomer formation

(2009) Ying Feng et al.   NEUROTOXICOLOGY

Curcumin inhibits aggregation of α-synuclein

(2008) Neeraj Pandey et al.   ACTA NEUROPATHOLOGICA

CHARMM-GUI: A web-based graphical user interface for CHARMM

(2008) Sunhwan Jo et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Structural Characteristics of α-Synuclein Oligomers Stabilized by the Flavonoid Baicalein

(2008) Dong-Pyo Hong et al.   JOURNAL OF MOLECULAR BIOLOGY

Design of an N-Methylated Peptide Inhibitor of α-Synuclein Aggregation Guided by Solid-State NMR§

(2008) Jillian Madine et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

EGCG redirects amyloidogenic polypeptides into unstructured, off-pathway oligomers

(2008) Dagmar E Ehrnhoefer et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Urea denaturation by stronger dispersion interactions with proteins than water implies a 2-stage unfolding

(2008) L. Hua et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Solvent-induced collapse of α-synuclein and acid-denatured cytochrome c

(2002) Artemiza S. Morar et al.   PROTEIN SCIENCE