About: An In-Silico Investigation of Phytochemicals as Antiviral Agents Against Dengue Fever

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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
title	An In-Silico Investigation of Phytochemicals as Antiviral Agents Against Dengue Fever
Creator	Setzer, William Powers, Chelsea
topic	covid:5a1a3d864a2110b730b3cbf6b7a1c01a0870be42#this
source	Medline; PMC
abstract	Abstract: A virtual screening analysis of our library of phytochemical structures with dengue virus protein targets has been carried out using a molecular docking approach. A total of 2194 plant-derived secondary metabolites have been docked. This molecule set comprised of 290 alkaloids (68 indole alkaloids, 153 isoquinoline alkaloids, 5 quinoline alkaloids, 13 piperidine alkaloids, 14 steroidal alkaloids, and 37 miscellaneous alkaloids), 678 terpenoids (47 monoterpenoids, 169 sesquiterpenoids, 265 diterpenoids, 81 steroids, and 96 triterpenoids), 20 aurones, 81 chalcones, 349 flavonoids, 120 isoflavonoids, 74 lignans, 58 stilbenoids, 169 miscellaneous polyphenolic compounds, 100 coumarins, 28 xanthones, 67 quinones, and 160 miscellaneous phytochemicals. Dengue virus protein targets examined included dengue virus protease (NS2B-NS3pro), helicase (NS3 helicase), methyltransferase (MTase), RNA-dependent RNA polymerase (RdRp), and the dengue virus envelope protein. Polyphenolic compounds, flavonoids, chalcones, and other phenolics were the most numerous of the strongly docking ligands for dengue virus protein targets.
has issue date	2016-08-01(xsd:dateTime)
bibo:doi	10.2174/1386207319666160506123715
bibo:pmid	27151482
has license	cc-by-nc
sha1sum (hex)	5a1a3d864a2110b730b3cbf6b7a1c01a0870be42
schema:url	https://doi.org/10.2174/1386207319666160506123715
resource representing a document's title	An In-Silico Investigation of Phytochemicals as Antiviral Agents Against Dengue Fever
has PubMed Central identifier	PMC5411999
has PubMed identifier	27151482
schema:publication	Comb Chem High Throughput Screen
resource representing a document's body	covid:5a1a3d864a2110b730b3cbf6b7a1c01a0870be42#body_text
is http://vocab.deri.ie/void#inDataset of	proxy:http/ns.inria.fr/covid19/5a1a3d864a2110b730b3cbf6b7a1c01a0870be42
is schema:about of	named entity 'hydrophobic' named entity 'serine' named entity 'DENV' named entity 'binding site' named entity 'serotype' named entity 'protease' named entity 'RNA polymerase' named entity 'dengue virus' named entity 'dengue virus' named entity 'India' named entity 'flavonoids' named entity 'dengue virus' named entity 'binding site' named entity 'higher plants' named entity 'helicase' named entity 'developing nations' named entity 'binding site' named entity 'silibinin' named entity 'dengue' named entity 'curcumin' named entity 'protease' named entity 'DENV' named entity 'flavonoids' named entity 'guanine' named entity 'Silybin' named entity 'enzyme' named entity 'isoflavonoids' named entity 'RdRp' named entity 'DENV' named entity 'GTP' named entity 'flavonoids' named entity 'DHF' named entity 'dengue virus' named entity 'helicase' named entity 'trypsin' named entity 'infection' named entity 'chikungunya virus' named entity 'serine proteases' named entity 'Protein' named entity 'phytochemicals' named entity 'RdRp' named entity 'Macaranga' named entity 'terpenoids' named entity 'Aedes aegypti' named entity 'GTP' named entity 'DENV' named entity 'DENV' named entity 'envelope protein' named entity 'dengue fever' named entity 'binding site' named entity 'helicase' named entity 'serine protease' named entity 'de Sousa' named entity 'health services' named entity 'PDB' named entity 'curcumin' named entity 'dengue' named entity 'xanthones' named entity 'isoquinoline alkaloids' named entity 'methyltransferase' named entity 'molecular docking' named entity 'piperidine alkaloids' named entity 'dengue virus' named entity 'phytochemical' named entity 'quinones' named entity 'molecule' named entity 'aurones' named entity 'steroids' named entity 'protein targets' named entity 'plant-derived secondary metabolites' named entity 'dengue virus' named entity 'protease' named entity 'Irvine, California' named entity 'diterpenoids' named entity 'helicase' named entity 'protein' named entity 'amino acids' named entity 'trypsin'

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