About: In Vitro Evaluation of Novel Inhibitors against the NS2B-NS3 Protease of Dengue Fever Virus Type 4

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About: In Vitro Evaluation of Novel Inhibitors against the NS2B-NS3 Protease of Dengue Fever Virus Type 4 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
title	In Vitro Evaluation of Novel Inhibitors against the NS2B-NS3 Protease of Dengue Fever Virus Type 4
Creator	Kim, Doman Wu, Ying-Ta Chen, Hsin-Yen Kim, Do-Won Lee, Sun Wang, Hsi-Kai Nguyen, Hanh Thanh, Thi Lin, Simon
source	PMC
abstract	The discovery of potent therapeutic compounds against dengue virus is urgently needed. The NS2B-NS3 protease (NS2B-NS3(pro)) of dengue fever virus carries out all enzymatic activities needed for polyprotein processing and is considered to be amenable to antiviral inhibition by analogy. Virtual screening of 300,000 compounds using Autodock 3 on the GVSS platform was conducted to identify novel inhibitors against the NS2B-NS3(pro). Thirty-six compounds were selected for in vitro assay against NS2B-NS3(pro) expressed in Pichia pastoris. Seven novel compounds were identified as inhibitors with IC(50) values of 3.9 ± 0.6–86.7 ± 3.6 μM. Three strong NS2B-NS3(pro) inhibitors were further confirmed as competitive inhibitors with K(i) values of 4.0 ± 0.4, 4.9 ± 0.3, and 3.4 ± 0.1 μM, respectively. Hydrophobic and hydrogen bond interactions between amino acid residues in the NS3(pro) active site with inhibition compounds were also identified.
has issue date	2013-12-13(xsd:dateTime)
bibo:doi	10.3390/molecules181215600
bibo:pmid	24352016
has license	cc-by
sha1sum (hex)	4a5e7d2f1256d0aed03adae0c98c5bb522e28748
schema:url	https://doi.org/10.3390/molecules181215600
resource representing a document's title	In Vitro Evaluation of Novel Inhibitors against the NS2B-NS3 Protease of Dengue Fever Virus Type 4
has PubMed Central identifier	PMC6269914
has PubMed identifier	24352016
schema:publication	Molecules
resource representing a document's body	covid:4a5e7d2f1256d0aed03adae0c98c5bb522e28748#body_text
is schema:about of	named entity 'PRO' named entity 'TO IDENTIFY' named entity 'NS3' named entity 'CARRIES' named entity 'ENZYMATIC' named entity 'VALUES' named entity 'DISCOVERY' named entity 'NEEDED' named entity 'ACTIVE SITE' named entity 'NS2B' named entity 'ANALOGY' named entity 'POLYPROTEIN' named entity 'VIRUS' named entity 'NS2B-NS3 PROTEASE' named entity 'NOVEL' named entity 'compounds' named entity 'dengue fever' named entity 'conducted' named entity 'values' named entity 'Novel' named entity 'MOLECULES' named entity 'INHIBITORS' named entity 'DENGUE FEVER' named entity 'DENGUE VIRUS' named entity '3.4' named entity 'SEVEN' named entity 'INTERACTIONS' named entity 'USING' named entity 'COMPETITIVE INHIBITORS' named entity 'DENGUE FEVER' named entity 'SELECTED' named entity '300' named entity 'INHIBITORS' named entity 'IDENTIFIED' named entity 'IN VITRO' named entity 'VIRUS TYPE' named entity 'EVALUATION' named entity '3.9' named entity 'HYDROGEN BOND' named entity 'CONFIRMED' named entity 'INHIBITION' named entity 'NOVEL' named entity 'AMINO ACID' named entity 'EXPRESSED' named entity 'PICHIA PASTORIS' named entity 'PLATFORM' named entity 'THIRTY' named entity '0.1' named entity 'ACTIVITIES' named entity '3.6' named entity 'ANTIVIRAL' named entity 'CONSIDERED' named entity 'NS2B-NS3 PROTEASE' named entity 'TYPE 4' named entity 'BCM' named entity 'HYDROPHOBIC' named entity 'PROCESSING' named entity 'AS INHIBITORS' named entity '0.4' named entity 'THERAPEUTIC' named entity 'AMENABLE' named entity 'STRONG' named entity '0.3' named entity 'IN VITRO ASSAY' named entity 'VIRTUAL SCREENING' named entity '0.6' named entity 'inhibitors' named entity 'NS3' named entity 'antiviral' named entity 'compounds' named entity 'Seven' named entity 'hydrogen bond' named entity 'polyprotein'

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