Quantum chemical and molecular mechanics studies on the assessment of interactions between resveratrol and mutant SOD1 (G93A) protein

Deciphering the loss of metal binding due to mutation D83G of human SOD1 protein causing FALS disease

(2018) E. Srinivasan et al.   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

Neuroprotective Role of Trans-Resveratrol in a Murine Model of Familial Alzheimer's Disease

(2018) David Porquet et al.   JOURNAL OF ALZHEIMERS DISEASE

A computational combinatorial approach identifies a protein inhibitor of superoxide dismutase 1 misfolding, aggregation, and cytotoxicity

(2017) Victor Banerjee et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

A theoretical study on Zn binding loop mutants instigating destabilization and metal binding loss in human SOD1 protein

(2017) E. Srinivasan et al.   JOURNAL OF MOLECULAR MODELING

Atomic structure of a toxic, oligomeric segment of SOD1 linked to amyotrophic lateral sclerosis (ALS)

(2017) Smriti Sangwan et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Exploring the cause of aggregation and reduced Zn binding affinity by G85R mutation in SOD1 rendering amyotrophic lateral sclerosis

(2017) E. Srinivasan et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Applications of Discrete Molecular Dynamics in biology and medicine

(2016) Elizabeth A Proctor et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

SAAFEC: Predicting the Effect of Single Point Mutations on Protein Folding Free Energy Using a Knowledge-Modified MM/PBSA Approach

(2016) Ivan Getov et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Computational simulation analysis on human SOD1 mutant (H80R) exposes the structural destabilization and the deviation of Zn binding that directs familial amyotrophic lateral sclerosis

(2016) E. Srinivasan et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

A cysteine residue affects the conformational state and neuronal toxicity of mutant SOD1 in mice: relevance to the pathogenesis of ALS

(2015) S. Nagano et al.   HUMAN MOLECULAR GENETICS

Inhibition of Pathogenic Mutant SOD1 Aggregation in Cultured Motor Neuronal Cells by Prevention of Its SUMOylation on Lysine 75

(2015) Audrey Dangoumau et al.   Neurodegenerative Diseases

PubChem Substance and Compound databases

(2015) Sunghwan Kim et al.   NUCLEIC ACIDS RESEARCH

Resveratrol: A Focus on Several Neurodegenerative Diseases

(2015) Ester Tellone et al.   Oxidative Medicine and Cellular Longevity

Inhibition of insulin amyloid fibrillization by glyco-acridines: an in vitro and in silico study

(2015) Quan Van Vuong et al.   MedChemComm

Theoretical study of complexation of resveratrol with cyclodextrins and cucurbiturils: structure and antioxidative activity

(2015) Lilin Lu et al.   RSC Advances

Natural potential therapeutic agents of neurodegenerative diseases from the traditional herbal medicine Chinese Dragon׳s Blood

(2014) Ning Li et al.   JOURNAL OF ETHNOPHARMACOLOGY

Resveratrol Improves Motoneuron Function and Extends Survival in SOD1G93A ALS Mice

(2014) Renzo Mancuso et al.   Neurotherapeutics

Aggregation propensities of superoxide dismutase G93 hotspot mutants mirror ALS clinical phenotypes

(2014) A. J. Pratt et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Computational approaches to understanding protein aggregation in neurodegeneration

(2014) R. L. Redler et al.   Journal of Molecular Cell Biology

Structures of the E46K Mutant-Type α-Synuclein Protein and Impact of E46K Mutation on the Structures of the Wild-Type α-Synuclein Protein

(2013) Olivia Wise-Scira et al.   ACS Chemical Neuroscience

Inhibiting toxic aggregation of amyloidogenic proteins: A therapeutic strategy for protein misfolding diseases

(2013) Biao Cheng et al.   BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS

The effect of resveratrol on neurodegeneration and blood brain barrier stability surrounding intracortical microelectrodes

(2013) Kelsey A. Potter et al.   BIOMATERIALS

Mechanical Probes of SOD1 Predict Systematic Trends in Metal and Dimer Affinity of ALS-Associated Mutants

(2013) Atanu Das et al.   JOURNAL OF MOLECULAR BIOLOGY

Features of wild-type human SOD1 limit interactions with misfolded aggregates of mouse G86R Sod1

(2013) David A Qualls et al.   Molecular Neurodegeneration

Early Changes of Neuromuscular Transmission in the SOD1(G93A) Mice Model of ALS Start Long before Motor Symptoms Onset

(2013) Mariana C. Rocha et al.   PLoS One

Aggregation-triggering segments of SOD1 fibril formation support a common pathway for familial and sporadic ALS

(2013) M. I. Ivanova et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Early steps in thermal unfolding of superoxide dismutase 1 are similar to the conformational changes associated with the ALS-associated A4V mutation

(2013) T. Schmidlin et al.   PROTEIN ENGINEERING DESIGN & SELECTION

Identification of a novel Cys146X mutation of SOD1 in familial amyotrophic lateral sclerosis by whole-exome sequencing

(2012) Jinyu Wu et al.   GENETICS IN MEDICINE

Discrete Molecular Dynamics: An Efficient And Versatile Simulation Method For Fine Protein Characterization

(2012) David Shirvanyants et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Role of Disulfide Cross-Linking of Mutant SOD1 in the Formation of Inclusion-Body-Like Structures

(2012) Brittany L. T. Roberts et al.   PLoS One

Curcuminoids and resveratrol as anti-Alzheimer agents

(2012) Oliver B. Villaflores et al.   Taiwanese Journal of Obstetrics & Gynecology

Glutathionylation at Cys-111 Induces Dissociation of Wild Type and FALS Mutant SOD1 Dimers

(2011) Rachel L. Redler et al.   BIOCHEMISTRY

Resveratrol Inhibits the Formation of Multiple-Layered β-Sheet Oligomers of the Human Islet Amyloid Polypeptide Segment 22–27

(2011) Ping Jiang et al.   BIOPHYSICAL JOURNAL

Natural polyphenols inhibit different steps of the process of transthyretin (TTR) amyloid fibril formation

(2011) Nelson Ferreira et al.   FEBS LETTERS

Inhibition of Aggregation of Amyloid Peptides by Beta-Sheet Breaker Peptides and Their Binding Affinity

(2011) Man Hoang Viet et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Resveratrol as a Therapeutic Agent for Neurodegenerative Diseases

(2010) Albert Y. Sun et al.   MOLECULAR NEUROBIOLOGY

Optimized Hydrophobic Interactions and Hydrogen Bonding at the Target-Ligand Interface Leads the Pathways of Drug-Designing

(2010) Rohan Patil et al.   PLoS One

Strategies for stabilizing superoxide dismutase (SOD1), the protein destabilized in the most common form of familial amyotrophic lateral sclerosis

(2010) J. R. Auclair et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The ALS-Associated Mutation G93A in Human Copper-Zinc Superoxide Dismutase Selectively Destabilizes the Remote Metal Binding Region

(2009) Anna Katrine Museth et al.   BIOCHEMISTRY

Fluorescence microscopy studies on islet amyloid polypeptide fibrillation at heterogeneous and cellular membrane interfaces and its inhibition by resveratrol

(2009) Diana Radovan et al.   FEBS LETTERS

Longevity nutrients resveratrol, wines and grapes

(2009) Istvan Lekli et al.   Genes and Nutrition

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

(2009) Garrett M. Morris et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

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

(2009) Ying Feng et al.   NEUROTOXICOLOGY

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Potential of resveratrol in anticancer and anti-inflammatory therapy

(2008) Chibuike C Udenigwe et al.   NUTRITION REVIEWS

Ab Initio Folding of Proteins with All-Atom Discrete Molecular Dynamics

(2008) Feng Ding et al.   STRUCTURE