About: In-silico screening for anti-Zika virus phytochemicals

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

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type	Academic Article research paper schema:ScholarlyArticle
isDefinedBy	Covid-on-the-Web dataset
has title	In-silico screening for anti-Zika virus phytochemicals
Creator	Byler, Kendall Ogungbe, Ifedayo Setzer, William
Source	Elsevier; Medline; PMC
abstract	Abstract Zika virus (ZIKV) is an arbovirus that has infected hundreds of thousands of people and is a rapidly expanding epidemic across Central and South America. ZIKV infection has caused serious, albeit rare, complications including Guillain–Barré syndrome and congenital microcephaly. There are currently no vaccines or antiviral agents to treat or prevent ZIKV infection, but there are several ZIKV non-structural proteins that may serve as promising antiviral drug targets. In this work, we have carried out an in-silico search for potential anti-Zika viral agents from natural sources. We have generated ZIKV protease, methyltransferase, and RNA-dependent RNA polymerase using homology modeling techniques and we have carried out molecular docking analyses of our in-house virtual library of phytochemicals with these protein targets as well as with ZIKV helicase. Overall, 2263 plant-derived secondary metabolites have been docked. Of these, 43 compounds that have drug-like properties have exhibited remarkable docking profiles to one or more of the ZIKV protein targets, and several of these are found in relatively common herbal medicines, suggesting promise for natural and inexpensive antiviral therapy for this emerging tropical disease.
has issue date	2016-09-30(xsd:dateTime)
bibo:doi	10.1016/j.jmgm.2016.08.011
bibo:pmid	27588363
has license	els-covid
sha1sum (hex)	cde64e450f957b1bd0a871786adb52c5b81b433d
schema:url	https://doi.org/10.1016/j.jmgm.2016.08.011
resource representing a document's title	In-silico screening for anti-Zika virus phytochemicals
has PubMed Central identifier	PMC7185537
has PubMed identifier	27588363
schema:publication	Journal of Molecular Graphics and Modelling
resource representing a document's body	covid:cde64e450f957b1bd0a871786adb52c5b81b433d#body_text
is schema:about of	named entity 'SCREENING' named entity 'ZIKA VIRUS' named entity 'MODELING TECHNIQUES' named entity 'INCLUDING' named entity 'PREVENT' named entity 'TARGETS' named entity 'OVERALL' named entity 'ANTIVIRAL DRUG' named entity 'TROPICAL DISEASE' named entity 'BUT' named entity 'ZIKA VIRUS' named entity 'VIRTUAL' named entity 'ARBOVIRUS' named entity 'SEARCH' named entity 'HERBAL MEDICINES' named entity 'SYNDROME' named entity 'PLANT-' named entity 'COMMON' named entity 'RNA-DEPENDENT RNA POLYMERASE' named entity 'BARR' named entity 'GENERATED' named entity 'INFECTED' named entity 'USING' named entity 'TREAT' named entity 'RAPIDLY' named entity 'PHYTOCHEMICALS' named entity 'IN-HOUSE' named entity 'PEOPLE' named entity 'HOMOLOGY MODELING' named entity 'LIKE' named entity 'VIRAL' named entity 'CAUSED' named entity 'DOCKING' named entity 'CENTRAL' named entity 'CURRENTLY' named entity 'ANTIVIRAL AGENTS' named entity 'SECONDARY METABOLITES' named entity 'ANTIVIRAL THERAPY' named entity 'VACCINES' named entity 'IS A' named entity 'DERIVED' named entity 'PROPERTIES' named entity 'ZIKA' named entity 'WORK' named entity 'LIBRARY' named entity 'PROTEASE' named entity 'POTENTIAL' named entity 'PHYTOCHEMICALS' named entity 'EPIDEMIC' named entity 'HAVE' named entity 'METHYLTRANSFERASE' named entity 'ACROSS' named entity 'COMPLICATIONS' named entity 'SOUTH AMERICA' named entity 'OUR' named entity 'NATURAL' named entity 'FOUND' named entity 'CONGENITAL MICROCEPHALY' named entity 'PROMISE' named entity 'SERVE' named entity 'DRUG TARGETS' named entity 'EXPANDING' named entity 'HELICASE' named entity 'NON-STRUCTURAL PROTEINS' named entity 'SOURCES' named entity 'RARE' named entity 'PROTEIN ' named entity 'DRUG' named entity 'CARRIED' named entity 'MOLECULAR DOCKING' named entity 'THESE' named entity 'methyltransferase' named entity 'ZIKV' named entity 'congenital microcephaly' named entity 'ZIKV' named entity 'phytochemicals' named entity 'ZIKV' named entity 'infection' named entity 'protein targets'

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