Tautomerization Effect of Histidines on Oligomer Aggregation of β-Amyloid(1-40/42) during the Early Stage: Tautomerism Hypothesis for Misfolding Protein Aggregation.

Abstract:

:As the intrinsic origin of the hypothesis for β-amyloid (Aβ) from Alzheimer's disease, histidine behaviors were found to play a crucial role in Aβ aggregation. To investigate the histidine behaviors during the early stage of aggregation, Aβ40/42 pentamers with different histidine isomer states were simulated at the atomic level. Results show that five Aβ40 (δδδ) and Aβ42 (εδδ) monomers can rapidly decrease the aggregation threshold, promote stable pentamer formation, and increase pentamer contents by 51.8% and 56.7%, respectively, as compared with the values of their wild-type (εεε) counterparts. Additionally, pentamers of Aβ40 (δδδ) and Aβ42 (εδδ) have different aggregation pathways and disassembly species, Tr+D and Te+M, during the growth of the pentamer. This work discloses the significance of histidine tautomerization in Aβ aggregation, implying a potential way to control Aβ aggregation and develop the assembly inhibitors.

journal_name

ACS Chem Neurosci

authors

Xing X,Zhao W,Hu D,Kang B,Shi H,Lee JY,Ai H

doi

10.1021/acschemneuro.9b00094

subject

Has Abstract

pub_date

2019-05-15 00:00:00

pages

2602-2608

issue

5

issn

1948-7193

journal_volume

10

pub_type

杂志文章
  • Fluorescent filter-trap assay for amyloid fibril formation kinetics in complex solutions.

    abstract::Amyloid fibrils are the most distinct components of the plaques associated with various neurodegenerative diseases. Kinetic studies of amyloid fibril formation shed light on the microscopic mechanisms that underlie this process as well as the contributions of internal and external factors to the interplay between diff...

    journal_title:ACS chemical neuroscience

    pub_type: 杂志文章

    doi:10.1021/acschemneuro.5b00104

    authors: Nasir I,Linse S,Cabaleiro-Lago C

    更新日期:2015-08-19 00:00:00

  • Molecular Dynamics Study on the Inhibition Mechanisms of Drugs CQ1-3 for Alzheimer Amyloid-β40 Aggregation Induced by Cu(2.).

    abstract::The aggregation of amyloid-β (Aβ) peptide induced by Cu(2+) is a key factor in development of Alzheimer's disease (AD), and metal ion chelation therapy enables treatment of AD. Three CQi (i = 1, 2, and 3 with R = H, Cl, and NO2, respectively) drugs had been verified experimentally to be much stronger inhibitors than t...

    journal_title:ACS chemical neuroscience

    pub_type: 杂志文章

    doi:10.1021/acschemneuro.5b00343

    authors: Dong M,Li H,Hu D,Zhao W,Zhu X,Ai H

    更新日期:2016-05-18 00:00:00

  • Synthesis, biophysical, and pharmacological evaluation of the melanocortin agonist AST3-88: modifications of peptide backbone at Trp 7 position lead to a potent, selective, and stable ligand of the melanocortin 4 receptor (MC4R).

    abstract::The melanocortin-3 (MC3R) and melanocortin-4 (MC4R) receptors are expressed in the brain and are implicated in the regulation of food intake and energy homeostasis. The endogenous agonist ligands for these receptors (α-, β-, γ-MSH and ACTH) are linear peptides with limited receptor subtype selectivity and metabolic st...

    journal_title:ACS chemical neuroscience

    pub_type: 杂志文章

    doi:10.1021/cn5000953

    authors: Singh A,Dirain ML,Wilczynski A,Chen C,Gosnell BA,Levine AS,Edison AS,Haskell-Luevano C

    更新日期:2014-10-15 00:00:00

  • Classics in Chemical Neuroscience: Methylphenidate.

    abstract::As the first drug to see widespread use for the treatment of attention deficit hyperactivity disorder (ADHD), methylphenidate was the forerunner and catalyst to the modern era of rapidly increasing diagnosis, treatment, and medication development for this condition. During its often controversial history, it has vario...

    journal_title:ACS chemical neuroscience

    pub_type: 杂志文章,评审

    doi:10.1021/acschemneuro.6b00199

    authors: Wenthur CJ

    更新日期:2016-08-17 00:00:00

  • Real-Time Monitoring of Alzheimer's-Related Amyloid Aggregation via Probe Enhancement-Fluorescence Correlation Spectroscopy.

    abstract::This work describes the use of fluorescence correlation spectroscopy (FCS) and a novel amyloid-binding fluorescent probe, ARCAM 1, to monitor the aggregation of the Alzheimer's disease-associated amyloid β-peptide (Aβ). ARCAM 1 exhibits a large increase in fluorescence emission upon binding to Aβ assemblies, making it...

    journal_title:ACS chemical neuroscience

    pub_type: 杂志文章

    doi:10.1021/acschemneuro.5b00176

    authors: Guan Y,Cao KJ,Cantlon A,Elbel K,Theodorakis EA,Walsh DM,Yang J,Shah JV

    更新日期:2015-09-16 00:00:00

  • Binding of Metal-Ion-Induced Tau Oligomers to Lipid Surfaces Is Enhanced by GSK-3β-Mediated Phosphorylation.

    abstract::While fibrillar deposits of hyperphosphorylated protein tau are a key hallmark of several neurodegenerative diseases such as Alzheimer's disease, small oligomers have been speculated to be the key toxic aggregate species. Trivalent metal ions were shown to promote tau oligomer formation in vitro. However, little is kn...

    journal_title:ACS chemical neuroscience

    pub_type: 杂志文章

    doi:10.1021/acschemneuro.9b00459

    authors: Nuebling GS,Plesch E,Ruf VC,Högen T,Lorenzl S,Kamp F,Giese A,Levin J

    更新日期:2020-03-18 00:00:00

  • Novel Disassembly Mechanisms of Sigmoid Aβ42 Protofibrils by Introduced Neutral and Charged Drug Molecules.

    abstract::Alzheimer's disease (AD) is characterized by fibrillar deposits of amyloid-β (Aβ) peptides and neurofibrillary tangles of Tau proteins. Aβ peptides are composed of 37-49 residues, among which the Aβ42 isoform is particularly toxic and aggregation-prone and is enriched in the plaques of AD brains and thus considered ce...

    journal_title:ACS chemical neuroscience

    pub_type: 杂志文章

    doi:10.1021/acschemneuro.9b00550

    authors: Xing X,Liu C,Ali A,Kang B,Li P,Ai H

    更新日期:2020-01-02 00:00:00

  • A Difluoroboron β-Diketonate Probe Shows "Turn-on" Near-Infrared Fluorescence Specific for Tau Fibrils.

    abstract::Tau aggregation in neuronal cells has recently received significant attention as a robust predictor of the progression of Alzheimer's disease (AD) because of its proven correlation with the degree of cognitive impairment in AD patients. Accordingly, noninvasive imaging of tau aggregates has been highlighted as a promi...

    journal_title:ACS chemical neuroscience

    pub_type: 杂志文章

    doi:10.1021/acschemneuro.7b00224

    authors: Park KS,Kim MK,Seo Y,Ha T,Yoo K,Hyeon SJ,Hwang YJ,Lee J,Ryu H,Choo H,Chong Y

    更新日期:2017-10-18 00:00:00

  • Diverse Effects of Gut-Derived Serotonin in Intestinal Inflammation.

    abstract::The gut is the largest producer of serotonin or 5-hydroxytryptamine (5-HT) in the human body, and 5-HT has been recognized as an important signaling molecule in the gut for decades. There are two distinct sources of enteric 5-HT. Mucosal 5-HT is predominantly produced by enterochromaffin (EC) cells of the gastrointest...

    journal_title:ACS chemical neuroscience

    pub_type: 杂志文章,评审

    doi:10.1021/acschemneuro.6b00414

    authors: Shajib MS,Baranov A,Khan WI

    更新日期:2017-05-17 00:00:00

  • Involvement of protein kinase C in morphine tolerance at spinal levels of rats.

    abstract::The present study was performed to investigate the possible role of protein kinase C (PKC) in morphine tolerance at spinal levels of rats. Intrathecal injection of 10 μg of morphine induced increases in the hindpaw withdrawal latency (HWL) to noxious thermal and mechanical stimulation in rats. After intrathecal inject...

    journal_title:ACS chemical neuroscience

    pub_type: 杂志文章

    doi:10.1021/cn900005d

    authors: Jin WY,Yu LC

    更新日期:2010-02-17 00:00:00

  • Detection of orexin A neuropeptide in biological fluids using a zinc oxide field effect transistor.

    abstract::Biomarkers which are indicative of acute physiological and emotional states are studied in a number of different areas in cognitive neuroscience. Currently, many cognitive studies are conducted based on programmed tasks followed by timed biofluid sampling, central laboratory processing, and followed by data analysis. ...

    journal_title:ACS chemical neuroscience

    pub_type: 杂志文章

    doi:10.1021/cn300159e

    authors: Hagen J,Lyon W,Chushak Y,Tomczak M,Naik R,Stone M,Kelley-Loughnane N

    更新日期:2013-03-20 00:00:00

  • Discovery of Small Molecule Kappa Opioid Receptor Agonist and Antagonist Chemotypes through a HTS and Hit Refinement Strategy.

    abstract::Herein we present the outcome of a high throughput screening (HTS) campaign-based strategy for the rapid identification and optimization of selective and general chemotypes for both kappa (κ) opioid receptor (KOR) activation and inhibition. In this program, we have developed potent antagonists (IC(50) < 120 nM) or ago...

    journal_title:ACS chemical neuroscience

    pub_type: 杂志文章

    doi:10.1021/cn200128x

    authors: Frankowski KJ,Hedrick MP,Gosalia P,Li K,Shi S,Whipple D,Ghosh P,Prisinzano TE,Schoenen FJ,Su Y,Vasile S,Sergienko E,Gray W,Hariharan S,Milan L,Heynen-Genel S,Mangravita-Novo A,Vicchiarelli M,Smith LH,Streicher JM,

    更新日期:2012-03-21 00:00:00

  • Phosphorylation of α-Synuclein at Y125 and S129 alters its metal binding properties: implications for understanding the role of α-Synuclein in the pathogenesis of Parkinson's Disease and related disorders.

    abstract::α-Synuclein (α-syn) is a 140-amino acid protein that plays a central role in the pathogenesis of Parkinson's disease (PD) and other synucleinopathies. However, the molecular determinants that are responsible for triggering and/or propagating α-syn aggregation and toxicity remain poorly understood. Several studies have...

    journal_title:ACS chemical neuroscience

    pub_type: 杂志文章

    doi:10.1021/cn200074d

    authors: Lu Y,Prudent M,Fauvet B,Lashuel HA,Girault HH

    更新日期:2011-11-16 00:00:00

  • Recent Advances in Virtual Screening for Cholinesterase Inhibitors.

    abstract::Alzheimer's disease (AD) is a significant health crisis, and current treatments provide only limited benefits to cognition at the cost of serious side effects. Recently, virtual screening techniques such as ligand-based virtual screening (LBVS) and structure-based virtual screening (SBVS) have emerged as powerful drug...

    journal_title:ACS chemical neuroscience

    pub_type: 杂志文章

    doi:10.1021/acschemneuro.0c00627

    authors: Miles JA,Ross BP

    更新日期:2021-01-06 00:00:00

  • Reversal of Peripheral Neuropathic Pain by the Small-Molecule Natural Product Physalin F via Block of CaV2.3 (R-Type) and CaV2.2 (N-Type) Voltage-Gated Calcium Channels.

    abstract::No universally efficacious therapy exists for chronic pain, a disease affecting one-fifth of the global population. An overreliance on the prescription of opioids for chronic pain despite their poor ability to improve function has led to a national opioid crisis. In 2018, the NIH launched a Helping to End Addiction Lo...

    journal_title:ACS chemical neuroscience

    pub_type: 杂志文章

    doi:10.1021/acschemneuro.9b00166

    authors: Shan Z,Cai S,Yu J,Zhang Z,Vallecillo TGM,Serafini MJ,Thomas AM,Pham NYN,Bellampalli SS,Moutal A,Zhou Y,Xu GB,Xu YM,Luo S,Patek M,Streicher JM,Gunatilaka AAL,Khanna R

    更新日期:2019-06-19 00:00:00

  • Reformulating a Pharmacophore for 5-HT2A Serotonin Receptor Antagonists.

    abstract::Several pharmacophore models have been proposed for 5-HT2A serotonin receptor antagonists. These typically consist of two aromatic/hydrophobic moieties separated by a given distance from each other, and from a basic amine. Although specified distances might vary, the models are relatively similar in their general cons...

    journal_title:ACS chemical neuroscience

    pub_type: 杂志文章

    doi:10.1021/acschemneuro.6b00162

    authors: Younkin J,Gaitonde SA,Ellaithy A,Vekariya R,Baki L,Moreno JL,Shah S,Drossopoulos P,Hideshima KS,Eltit JM,González-Maeso J,Logothetis DE,Dukat M,Glennon RA

    更新日期:2016-09-21 00:00:00

  • Targeting SARS-CoV-2: Novel Source of Antiviral Compound(s) against COVID-19?

    abstract::SARS-CoV-2 remains a significant burden on human health. Several lines of evidence suggest that surveillance of sewage and waste can provide an early warning sign for COVID-19 recurrence in a community. In support, SARS-CoV-2 traces were found in sewage in several countries. With this in mind, it is notable that pests...

    journal_title:ACS chemical neuroscience

    pub_type: 杂志文章,评审

    doi:10.1021/acschemneuro.0c00312

    authors: Siddiqui R,Khan NA

    更新日期:2020-07-01 00:00:00

  • Food-Induced Increase of Acetylcholine in Mouse Hypothalamus.

    abstract::Using microdialysis in C57Bl6 mice, we monitored cholinergic activity in the hypothalamus. Food intake after an overnight fast caused a 3-fold increase of extracellular acetylcholine (ACh) concentrations in the hypothalamus. The effect lasted for about 30 min. Food containing no calories (kaolin pellets), or food that...

    journal_title:ACS chemical neuroscience

    pub_type: 杂志文章

    doi:10.1021/acschemneuro.8b00173

    authors: Thinnes A,Klein J

    更新日期:2019-04-17 00:00:00

  • Discovery and Optimization of Triazine Nitrile Inhibitors of Toxoplasma gondii Cathepsin L for the Potential Treatment of Chronic Toxoplasmosis in the CNS.

    abstract::With roughly 2 billion people infected, the neurotropic protozoan Toxoplasma gondii remains one of the most pervasive and infectious parasites. Toxoplasma infection is the second leading cause of death due to foodborne illness in the United States, causes severe disease in immunocompromised patients, and is correlated...

    journal_title:ACS chemical neuroscience

    pub_type: 杂志文章

    doi:10.1021/acschemneuro.9b00674

    authors: Zwicker JD,Smith D,Guerra AJ,Hitchens JR,Haug N,Vander Roest S,Lee P,Wen B,Sun D,Wang L,Keep RF,Xiang J,Carruthers VB,Larsen SD

    更新日期:2020-08-19 00:00:00

  • Do Toxic Synthetic Cannabinoid Receptor Agonists Have Signature in Vitro Activity Profiles? A Case Study of AMB-FUBINACA.

    abstract::Recreational consumption of synthetic cannabinoid receptor agonists (SCRAs) is a growing crisis in public health in many parts of the world. AMB-FUBINACA is a member of this class of drugs and is responsible for a large proportion of SCRA-related toxicity both in New Zealand and internationally. Strikingly, little is ...

    journal_title:ACS chemical neuroscience

    pub_type: 杂志文章

    doi:10.1021/acschemneuro.9b00429

    authors: Finlay DB,Manning JJ,Ibsen MS,Macdonald CE,Patel M,Javitch JA,Banister SD,Glass M

    更新日期:2019-10-16 00:00:00

  • Investigation of a calcium-responsive contrast agent in cellular model systems: feasibility for use as a smart molecular probe in functional MRI.

    abstract::Responsive or smart contrast agents (SCAs) represent a promising direction for development of novel functional MRI (fMRI) methods for the eventual noninvasive assessment of brain function. In particular, SCAs that respond to Ca(2+) may allow tracking neuronal activity independent of brain vasculature, thus avoiding th...

    journal_title:ACS chemical neuroscience

    pub_type: 杂志文章

    doi:10.1021/cn500049n

    authors: Angelovski G,Gottschalk S,Milošević M,Engelmann J,Hagberg GE,Kadjane P,Andjus P,Logothetis NK

    更新日期:2014-05-21 00:00:00

  • Activation of Dopamine D3 Receptor Subtypes Inhibits the Neurogenic Systemic Vasodilation Induced by Stimulation of the Perivascular CGRPergic Discharge.

    abstract::The sensory nervous system controls cardiovascular homeostasis via capsaicin-sensitive neurons that release calcitonin gene-related peptide (CGRP), which subsequently activates CGRP receptors. How this perivascular CGRPergic discharge is modulated, nevertheless, remains unclear. In pithed rats, systemic vasodilation i...

    journal_title:ACS chemical neuroscience

    pub_type: 杂志文章

    doi:10.1021/acschemneuro.9b00277

    authors: Manrique-Maldonado G,Altamirano-Espinoza AH,Rivera-Mancilla E,Hernández-Abreu O,Villalón CM

    更新日期:2019-08-21 00:00:00

  • Metabolic multianalyte microphysiometry reveals extracellular acidosis is an essential mediator of neuronal preconditioning.

    abstract::Metabolic adaptation to stress is a crucial yet poorly understood phenomenon, particularly in the central nervous system (CNS). The ability to identify essential metabolic events which predict neuronal fate in response to injury is critical to developing predictive markers of outcome, for interpreting CNS spectroscopi...

    journal_title:ACS chemical neuroscience

    pub_type: 杂志文章

    doi:10.1021/cn300003r

    authors: McKenzie JR,Palubinsky AM,Brown JE,McLaughlin B,Cliffel DE

    更新日期:2012-07-18 00:00:00

  • Analysis and synthesis in olfaction.

    abstract::Natural environments contain numerous volatile compounds emanating from a large number of sources, and the survival of many animals depends on their ability to segregate odors of interest within complex odorous scenes. In a recent paper, we described how the ability of mice to detect odors within mixtures depends on t...

    journal_title:ACS chemical neuroscience

    pub_type: 评论,杂志文章

    doi:10.1021/cn500199n

    authors: Rokni D,Murthy VN

    更新日期:2014-10-15 00:00:00

  • cis pT231-Tau Drives Neurodegeneration in Bipolar Disorder.

    abstract::Bipolar disorder is a complex neuropsychiatric disorder, characterized by intermittent episodes of mania and depression. Recent studies have indicated argyrophilic grains, composed of hyperphosphorylated tau, are observable in postmortem brains of bipolar patients. It remains uncertain how tau hyperphosphorylation res...

    journal_title:ACS chemical neuroscience

    pub_type: 杂志文章

    doi:10.1021/acschemneuro.8b00629

    authors: Naserkhaki R,Zamanzadeh S,Baharvand H,Nabavi SM,Pakdaman H,Shahbazi S,Vosough M,Ghaedi G,Barzegar A,Mirtorabi D,Hedayatshodeh M,Ehsani E,Falahati M,Hajipour MJ,Shahpasand K

    更新日期:2019-03-20 00:00:00

  • Probing the neurochemical correlates of motivation and decision making.

    abstract::Online electrochemical detection techniques are the state-of-the-art for evaluating chemical communication in the brain underlying motivated behavior and decision making. In this Viewpoint, we discuss avenues for future technological development, as well as the requirement for increasingly sophisticated and interdisci...

    journal_title:ACS chemical neuroscience

    pub_type: 杂志文章,评审

    doi:10.1021/cn500322y

    authors: Wassum KM,Phillips PE

    更新日期:2015-01-21 00:00:00

  • Serotonin neuron diversity in the dorsal raphe.

    abstract::The dorsal raphe nucleus contains one of the largest groups of serotonergic neurons in the mammalian brain and is the main site of origin of the serotonergic projection to the cerebral cortex. Early electrophysiological studies suggested that serotonergic neurons in this cell group formed a homogeneous cell class. Mor...

    journal_title:ACS chemical neuroscience

    pub_type: 杂志文章,评审

    doi:10.1021/cn300224n

    authors: Andrade R,Haj-Dahmane S

    更新日期:2013-01-16 00:00:00

  • An Orally Active Phenylaminotetralin-Chemotype Serotonin 5-HT7 and 5-HT1A Receptor Partial Agonist that Corrects Motor Stereotypy in Mouse Models.

    abstract::Stereotypy (e.g., repetitive hand waving) is a key phenotype of autism spectrum disorder, Fragile X and Rett syndromes, and other neuropsychiatric disorders, and its severity correlates with cognitive and attention deficits. There are no effective treatments, however, for stereotypy. Perturbation of serotonin (5-HT) n...

    journal_title:ACS chemical neuroscience

    pub_type: 杂志文章

    doi:10.1021/acschemneuro.5b00099

    authors: Canal CE,Felsing DE,Liu Y,Zhu W,Wood JT,Perry CK,Vemula R,Booth RG

    更新日期:2015-07-15 00:00:00

  • Flavonoids as therapeutic compounds targeting key proteins involved in Alzheimer's disease.

    abstract::Alzheimer's disease is characterized by pathological aggregation of protein tau and amyloid-β peptides, both of which are considered to be toxic to neurons. Naturally occurring dietary flavonoids have received considerable attention as alternative candidates for Alzheimer's therapy taking into account their antiamyloi...

    journal_title:ACS chemical neuroscience

    pub_type: 杂志文章,评审

    doi:10.1021/cn400213r

    authors: Baptista FI,Henriques AG,Silva AM,Wiltfang J,da Cruz e Silva OA

    更新日期:2014-02-19 00:00:00

  • Neurotensin Analogues Containing Cyclic Surrogates of Tyrosine at Position 11 Improve NTS2 Selectivity Leading to Analgesia without Hypotension and Hypothermia.

    abstract::Neurotensin (NT) exerts its analgesic effects through activation of the G protein-coupled receptors NTS1 and NTS2. This opioid-independent antinociception represents a potential alternative for pain management. While activation of NTS1 also induces a drop in blood pressure and body temperature, NTS2 appears to be an a...

    journal_title:ACS chemical neuroscience

    pub_type: 杂志文章

    doi:10.1021/acschemneuro.9b00390

    authors: Eiselt E,Gonzalez S,Martin C,Chartier M,Betti C,Longpré JM,Cavelier F,Tourwé D,Gendron L,Ballet S,Sarret P

    更新日期:2019-11-20 00:00:00