Molecular dynamics investigation of cyclic natriuretic peptides: Dynamic properties reflect peptide activity

Papaleo, Elena; Russo, Laura; Shaikh, Nasrin; Cipolla, Laura; Fantucci, Piercarlo; Gioia, Luca De

doi:10.1016/j.jmgm.2010.03.003

Cited by 17 publications

(10 citation statements)

References 54 publications

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“…As often the first few principal components of simulations of large proteins resemble cosines we evaluated the cosine content of the first two principal components to exclude the interpretation of the random diffuse motions. 65 The cosine content c i of the principal component p i is obtained from: 65,66…”

Section: Cosine Content Analysis Of the First Pcsmentioning

confidence: 99%

High temperatures enhance cooperative motions between CBM and catalytic domains of a thermostable cellulase: mechanism insights from essential dynamics

Batista

Costa

Pascutti

et al. 2011

Phys. Chem. Chem. Phys.

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Cellulases from thermophiles are capable of cleaving sugar chains from cellulose efficiently at high temperatures. The thermo-resistant Cel9A-68 cellulase possesses two important domains: CBM and a catalytic domain connected by a Pro/Ser/Thr rich linker. These domains act cooperatively to allow efficient catalysis. Despite exhaustive efforts to characterize cellulase binding and mechanism of action, a detailed description of the cellulose intrinsic flexibility is still lacking. From computational simulations we studied the temperature influence on the enzyme plasticity, prior to substrate binding. Interestingly, we observed an enhancement of collective motions at high temperatures. These motions are the most representative and describe an intrinsic hinge bending transition. A detailed analysis of these motions revealed an interdomain approximation where D459 and G460, located at the linker region, are the hinge residues. Therefore, we propose a new putative site for mutagenesis targeting the modulation of such conformational transition that may be crucial for activity.

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Section: Cosine Content Analysis Of the First Pcsmentioning

confidence: 99%

High temperatures enhance cooperative motions between CBM and catalytic domains of a thermostable cellulase: mechanism insights from essential dynamics

Batista

Costa

Pascutti

et al. 2011

Phys. Chem. Chem. Phys.

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“…Genetic manipulation has also been employed to target several genes implicated in SCZ or ASD in transgenic mice. 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42 An important caveat with respect to transgenic models is that these are relatively easy to generate, and thus may fuel research efforts that are actually red herrings because the genes in question are not convincingly implicated in the human diseases. 43 …”

Section: Rodent Models In the Study Of Scz And Autismmentioning

confidence: 99%

Modeling psychiatric disorders: from genomic findings to cellular phenotypes

et al. 2016

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Major programs in psychiatric genetics have identified >150 risk loci for psychiatric disorders. These loci converge on a small number of functional pathways, which span conventional diagnostic criteria, suggesting a partly common biology underlying schizophrenia, autism and other psychiatric disorders. Nevertheless, the cellular phenotypes that capture the fundamental features of psychiatric disorders have not yet been determined. Recent advances in genetics and stem cell biology offer new prospects for cell-based modeling of psychiatric disorders. The advent of cell reprogramming and induced pluripotent stem cells (iPSC) provides an opportunity to translate genetic findings into patient-specific in vitro models. iPSC technology is less than a decade old but holds great promise for bridging the gaps between patients, genetics and biology. Despite many obvious advantages, iPSC studies still present multiple challenges. In this expert review, we critically review the challenges for modeling of psychiatric disorders, potential solutions and how iPSC technology can be used to develop an analytical framework for the evaluation and therapeutic manipulation of fundamental disease processes.

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“…It shows a disklike shape in an extended conformation, with not remarkable stabilizing intramolecular interactions (He et al 2006). Only a few structural data are available for the free peptides, which are mostly unordered in aqueous solution and display a high conformational variability (Papaleo et al 2010).…”

Section: Resmentioning

confidence: 99%

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Zirah

Rebuffat

2015

SpringerBriefs in Microbiology

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SpringerBriefs in Microbiology present concise summaries of cutting-edge research and practical applications across a wide spectrum of fields. Featuring compact, authored volumes of 50 to 125 pages, the series covers a range of content from professional to academic. Typical topics might include:• A timely report of state-of-the art analytical techniques • A bridge between new research results published in journal articles and a contextual literature review • A snapshot of a hot or emerging topic • An in-depth case study or clinical example • A presentation of core concepts that students must understand in order to make independent contributions • Best practices or protocols to be followed • A series of short case studies SpringerBriefs in Microbiology showcase basic and translational research from a global author community. Briefs allow authors to present their ideas and readers to absorb them with minimal time investment, and will be published as part of Springer's eBook collection, with millions of users worldwide. In addition, Briefs will be available for individual print and electronic purchase.Briefs are characterized by fast, global electronic dissemination, standard publishing contracts, standardized manuscript preparation and formatting guidelines, and expedited production schedules. We aim for publication 8-12 weeks after acceptance.More information about this series at

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Molecular dynamics investigation of cyclic natriuretic peptides: Dynamic properties reflect peptide activity

Cited by 17 publications

References 54 publications

High temperatures enhance cooperative motions between CBM and catalytic domains of a thermostable cellulase: mechanism insights from essential dynamics

High temperatures enhance cooperative motions between CBM and catalytic domains of a thermostable cellulase: mechanism insights from essential dynamics

Modeling psychiatric disorders: from genomic findings to cellular phenotypes

Lasso Peptides

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