About: Structural Optimization and De Novo Design of Dengue Virus Entry Inhibitory Peptides

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An Entity of Type : schema:ScholarlyArticle, within Data Space : covidontheweb.inria.fr associated with source document(s)

Attributes	Values
type	Academic Article research paper schema:ScholarlyArticle
isDefinedBy	Covid-on-the-Web dataset
has title	Structural Optimization and De Novo Design of Dengue Virus Entry Inhibitory Peptides
Creator	Hunsperger, Elizabeth Jenwitheesuk, Ekachai Samudrala, Ram Isern, Sharon Lok, Shee-Mei Conrads, Kelly Costin, Joshua Fontaine, Krystal Michael, Scott Rees, Craig Rossmann, Michael
Source	PMC
abstract	Viral fusogenic envelope proteins are important targets for the development of inhibitors of viral entry. We report an approach for the computational design of peptide inhibitors of the dengue 2 virus (DENV-2) envelope (E) protein using high-resolution structural data from a pre-entry dimeric form of the protein. By using predictive strategies together with computational optimization of binding “pseudoenergies”, we were able to design multiple peptide sequences that showed low micromolar viral entry inhibitory activity. The two most active peptides, DN57opt and 1OAN1, were designed to displace regions in the domain II hinge, and the first domain I/domain II beta sheet connection, respectively, and show fifty percent inhibitory concentrations of 8 and 7 µM respectively in a focus forming unit assay. The antiviral peptides were shown to interfere with virus:cell binding, interact directly with the E proteins and also cause changes to the viral surface using biolayer interferometry and cryo-electron microscopy, respectively. These peptides may be useful for characterization of intermediate states in the membrane fusion process, investigation of DENV receptor molecules, and as lead compounds for drug discovery.
has issue date	2010-06-22(xsd:dateTime)
bibo:doi	10.1371/journal.pntd.0000721
bibo:pmid	20582308
has license	cc0
sha1sum (hex)	f60263668f8bb59ae4bd30498e2f04c18157773e
schema:url	https://doi.org/10.1371/journal.pntd.0000721
resource representing a document's title	Structural Optimization and De Novo Design of Dengue Virus Entry Inhibitory Peptides
has PubMed Central identifier	PMC2889824
has PubMed identifier	20582308
schema:publication	PLoS Negl Trop Dis
resource representing a document's body	covid:f60263668f8bb59ae4bd30498e2f04c18157773e#body_text
is schema:about of	named entity 'OPTIMIZATION' named entity 'inhibitors' named entity 'micromolar' named entity 'process' named entity 'targets' named entity 'inhibitory' named entity 'envelope proteins' named entity 'peptides' named entity 'virus' named entity 'Viral' named entity 'Optimization' named entity 'Design' named entity 'STRUCTURAL' named entity 'PEPTIDES' named entity '7 MM' named entity 'CONCENTRATIONS' named entity 'SURFACE' named entity 'DE NOVO' named entity 'STATES' named entity 'BETA SHEET' named entity 'ANTIVIRAL' covid:arg/f60263668f8bb59ae4bd30498e2f04c18157773e named entity 'ASSAY' named entity 'PROTEIN' named entity 'MICROMOLAR' named entity 'REGIONS' named entity 'HIGH-RESOLUTION' named entity 'LOW' named entity 'INTERMEDIATE' named entity 'INTERACT' named entity 'VIRUS ENTRY' named entity 'DENGUE VIRUS' named entity 'INTERFERE' named entity 'DEVELOPMENT' named entity 'BINDING' named entity 'DOMAIN' named entity 'APPROACH' named entity 'INVESTIGATION' named entity 'PROTEIN ' named entity 'REPORT' named entity 'CONNECTION' named entity 'TARGETS' named entity 'MOLECULES' named entity 'USING' named entity 'STRATEGIES' named entity 'RECEPTOR' named entity 'VIRUS' named entity 'USEFUL' named entity 'STRUCTURAL DATA' named entity 'DRUG DISCOVERY' named entity 'ACTIVE' named entity 'INHIBITORY' named entity 'IMPORTANT' named entity 'HINGE' named entity 'VIRAL' named entity 'OPTIMIZATION' named entity 'DESIGN' named entity 'DENGUE' named entity 'CHARACTERIZATION' named entity 'MULTIPLE' named entity 'LEAD COMPOUNDS' named entity 'CRYO-ELECTRON MICROSCOPY' named entity 'INHIBITORS' named entity 'FORM' named entity 'INTERFEROMETRY' named entity 'FOCUS FORMING UNIT' named entity 'PROCESS' named entity 'SEQUENCES' named entity 'FIFTY' named entity 'DIRECTLY' named entity 'COMPUTATIONAL'

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