About: Novel Inhibitor Design for Hemagglutinin against H1N1 Influenza Virus by Core Hopping Method

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About: Novel Inhibitor Design for Hemagglutinin against H1N1 Influenza Virus by Core Hopping Method Goto Sponge NotDistinct Permalink

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

Attributes	Values
type	Academic Article research paper schema:ScholarlyArticle
isDefinedBy	Covid-on-the-Web dataset
has title	Novel Inhibitor Design for Hemagglutinin against H1N1 Influenza Virus by Core Hopping Method
Creator	Chou, Kuo-Chen Li, Xiao-Bo Wang, Run-Ling Wang, Shu-Qing Xu, Wei-Ren
Source	PMC
abstract	The worldwide spread of H1N1 avian influenza and the increasing reports about its resistance to the current drugs have made a high priority for developing new anti-influenza drugs. Owing to its unique function in assisting viruses to bind the cellular surface, a key step for them to subsequently penetrate into the infected cell, hemagglutinin (HA) has become one of the main targets for drug design against influenza virus. To develop potent HA inhibitors, the ZINC fragment database was searched for finding the optimal compound with the core hopping technique. As a result, the Neo6 compound was obtained. It has been shown through the subsequent molecular docking studies and molecular dynamic simulations that Neo6 not only assumes more favorable conformation at the binding pocket of HA but also has stronger binding interaction with its receptor. Accordingly, Neo6 may become a promising candidate for developing new and more powerful drugs for treating influenza. Or at the very least, the findings reported here may provide useful insights to stimulate new strategy in this area.
has issue date	2011-11-30(xsd:dateTime)
bibo:doi	10.1371/journal.pone.0028111
bibo:pmid	22140516
has license	cc-by
sha1sum (hex)	bcb10d6f9d4c95cfcd762fe6297dcb46bc15ec3f
schema:url	https://doi.org/10.1371/journal.pone.0028111
resource representing a document's title	Novel Inhibitor Design for Hemagglutinin against H1N1 Influenza Virus by Core Hopping Method
has PubMed Central identifier	PMC3227604
has PubMed identifier	22140516
schema:publication	PLoS One
resource representing a document's body	covid:bcb10d6f9d4c95cfcd762fe6297dcb46bc15ec3f#body_text
is schema:about of	named entity 'infected' named entity 'stimulate' named entity 'fragment' named entity 'interaction' named entity 'receptor' named entity 'drug design' named entity 'candidate' named entity 'HEMAGGLUTININ' named entity 'BIND' named entity 'BINDING' named entity 'INCREASING' named entity 'MAIN' named entity 'INFLUENZA' named entity 'HERE' named entity 'INFECTED CELL' named entity 'PROVIDE' named entity 'VIRUSES' named entity 'SUBSEQUENT' named entity 'FAVORABLE' named entity 'ABOUT' named entity 'ITS' named entity 'DRUGS' named entity 'MOLECULAR DOCKING' named entity 'MOLECULAR DYNAMIC SIMULATIONS' named entity 'FINDINGS' named entity 'STIMULATE' named entity 'SEARCHED' named entity 'TARGETS' named entity 'DEVELOPING' named entity 'COMPOUND' named entity 'REPORTS' named entity 'REPORTED' named entity 'INFLUENZA VIRUS' named entity 'PENETRATE' named entity 'WORLDWIDE' named entity 'OPTIMAL' named entity 'H1N1' named entity 'FUNCTION' named entity 'RECEPTOR' named entity 'TECHNIQUE' named entity 'STEP' named entity 'BUT' named entity 'HAVE' named entity 'HIGH PRIORITY' named entity 'CURRENT' named entity 'INHIBITOR' named entity 'INTERACTION' named entity 'INSIGHTS' named entity 'TREATING' named entity 'STUDIES' named entity 'CELLULAR' named entity 'UNIQUE' named entity 'KEY' named entity 'CORE' named entity 'H1N1 INFLUENZA' named entity 'DESIGN' named entity 'HOPPING' named entity 'METHOD' named entity 'INFLUENZA VIRUS' named entity 'DATABASE' named entity 'USEFUL' named entity 'ASSISTING' named entity 'FINDING' named entity 'OBTAINED' named entity 'DRUG DESIGN' named entity 'RESULT' named entity 'POWERFUL' named entity 'ZINC' named entity 'SURFACE' named entity 'HEMAGGLUTININ' named entity 'CORE' named entity 'ONE OF' named entity 'AREA' named entity 'STRATEGY' named entity 'HOPPING' named entity 'CONFORMATION' named entity 'NOVEL'

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