About: Virtual screening of immunomodulatory medicinal compounds as promising anti-SARS-COV-2 inhibitors

Facets (new session)
Description
Metadata
Settings
- owl:sameAs
- Inference Rule:

About: Virtual screening of immunomodulatory medicinal compounds as promising anti-SARS-COV-2 inhibitors Goto Sponge NotDistinct Permalink

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	Virtual screening of immunomodulatory medicinal compounds as promising anti-SARS-COV-2 inhibitors
Creator	Ali, Johar Idrees, Fariha Idrees, Jawaria Khan, Abid Salman, Saad Shah, Fahad Velagala, Shreya
Source	PMC
abstract	Aim: Severe acute respiratory syndrome coronavirus-2 (SARS-COV-2), a pernicious viral disease, causes acute respiratory distress responsible for mortality and morbidity worldwide. To screen different immunomodulatory medicinal compounds to unravel their interaction with SARS-COV-2 viral proteins. Materials & methods: A library of immunomodulatory medicinal compounds with antiviral capability were analyzed against SARS proteases, spike protein and nonstructural proteins (NSP-9, 15) using Autodock vina. Results: Out of more than 300 medicinal compounds, only six compounds: arzanol, ferulic acid, genistein, resveratrol, rosmanol and thymohydroquinone showed significant interaction with the SARS viral proteins by forming hydrogen bonds with the active site residues with low binding energy. Further ADMET (absorption, distribution, metabolism, excretion and toxicity) analysis showed good pharmacokinetic properties and low acute toxicity of these compounds. Conclusion: The current study provides convincing evidence that these medicinal compounds exert antiviral activity against the SARS-COV-2 virus and could be further exploited for the treatment of this disease.
has issue date	2020-05-21(xsd:dateTime)
bibo:doi	10.2217/fvl-2020-0079
has license	cc-by
sha1sum (hex)	ae50ca3b9476c02d408165944e52370d2978a6e0
schema:url	https://doi.org/10.2217/fvl-2020-0079
resource representing a document's title	Virtual screening of immunomodulatory medicinal compounds as promising anti-SARS-COV-2 inhibitors
has PubMed Central identifier	PMC7243912
resource representing a document's body	covid:ae50ca3b9476c02d408165944e52370d2978a6e0#body_text
is schema:about of	named entity 'respiratory distress' named entity 'SARS-COV-2' named entity 'active site' named entity 'compounds' named entity 'GENISTEIN' named entity 'MORBIDITY' named entity 'PROTEIN ' named entity 'ACUTE RESPIRATORY DISTRESS' named entity 'THESE' named entity 'Conclusion' named entity 'proteins' named entity 'antiviral' named entity 'compounds' named entity 'immunomodulatory' named entity 'toxicity' named entity 'disease' named entity 'compounds' named entity 'current' named entity 'nonstructural proteins' named entity 'viral disease' named entity 'Severe acute respiratory syndrome coronavirus' named entity 'active site' named entity 'acute toxicity' named entity 'antiviral activity' named entity 'hydrogen bonds' named entity 'viral proteins' named entity 'metabolism' named entity 'SARS' named entity 'immunomodulatory' named entity 'ligand' named entity 'Nucleocapsid protein' named entity 'molecular mechanism' named entity 'RNA viruses' named entity 'binding energy' named entity 'antiviral' named entity 'viruses' named entity 'potential energy' named entity 'peptidase' named entity 'genistein' named entity 'neutrophils' named entity 'ligands' named entity 'protein' named entity 'polyprotein' named entity 'Epub ahead of print' named entity 'viral replication' named entity 'SARS-COV-2' named entity 'RMSD' named entity 'dendritic cells' named entity 'ribosomal frameshifting' named entity 'protein targets' named entity 'messenger RNA' named entity 'drug half-life' named entity 'ORFs' named entity 'ferulic acid' named entity 'pathogen' named entity 'Figure 1' named entity 'protein active site' named entity 'Coronavirus' named entity 'SARS-COV-2' named entity 'SARS-COV-2' named entity 'host cell' named entity 'ligands' named entity 'active site' named entity 'genetic material' named entity 'metabolism' named entity 'energy minimization' named entity 'macrophages' named entity 'unwanted side effects' named entity 'hepatic' named entity 'protein' named entity 'Alphacoronavirus' named entity 'toxicity' named entity 'pharmacokinetic profile' named entity 'diarrhea' named entity 'SARS' named entity 'receptor' named entity 'active site' named entity 'ligand'

Faceted Search & Find service v1.13.91 as of Mar 24 2020

Alternative Linked Data Documents: Sponger | ODE Content Formats:

RDF

ODATA

Microdata

About

OpenLink Virtuoso version 07.20.3229 as of Jul 10 2020, on Linux (x86_64-pc-linux-gnu), Single-Server Edition (94 GB total memory)
Data on this page belongs to its respective rights holders.
Virtuoso Faceted Browser Copyright © 2009-2024 OpenLink Software