| Property | Value |
|---|
|
?:abstract
|
-
Background: /iThis study aimed to examine the efficacy of some natural compounds and their derivatives in inhibiting the nucleocapsid protein N-terminal RNA binding domain (NSP-NTD), of SARS-CoV-2 virus by using the molecular doacking approach iMethods:Physiochemical and drug likeness properties of the compounds were characterized by using SWISS ADME server tool ADMET and TOPKAT modules of Discovery studio 4 0 were used for prediction of pharmacokinetic properties and toxicity of the compounds Molecular docking of the ligands with the target protein (NSP-NTD) was carried out using the receptor-ligand interactions module of DS 4 0 The CDOCKER energy, CDOCKER interaction energy and binding energy of the interactions were calculated to identify the best interacting compounds iResults:Four compounds including 4-hydroxybenzoic acid, benzoic acid, 4-aminobenzoic acid and salicylic acid have been predicted as effective compounds to inhibit the NSP-NTD (responsible for packing the viral RNA into the crown like capsid) ivis-Ã -viscombat the SARS-Cov-2 virus infection iConclusions:iIn vitroand iin vivoevaluation of these compounds against SARS-CoV-2 virus is required prior to assuring their potential roles in SARS-CoV-2 infection control
|
|
is
?:annotates
of
|
|
|
?:creator
|
|
|
?:license
|
|
|
?:publication_isRelatedTo_Disease
|
|
|
is
?:relation_isRelatedTo_publication
of
|
|
|
?:source
|
|
|
?:title
|
-
Identification of Putative Plant Based Antiviral Compounds to Fight Against SARS-CoV-2 Infection
|
|
?:type
|
|
|
?:who_covidence_id
|
|
|
?:year
|
|
![[This page as RDF]](https://research.tib.eu/covid-19/static/rdf-icon.gif){kind=icon}