About: High throughput virtual screening reveals SARS-CoV-2 multi-target binding natural compounds to lead instant therapy for COVID-19 treatment

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About: High throughput virtual screening reveals SARS-CoV-2 multi-target binding natural compounds to lead instant therapy for COVID-19 treatment 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	High throughput virtual screening reveals SARS-CoV-2 multi-target binding natural compounds to lead instant therapy for COVID-19 treatment
Creator	Gupta, Nidhi Prajapati, Vijay Naik, Biswajit Ojha, Rupal Prusty, Dhaneswar Singh, Satyendra
Source	Elsevier; Medline; PMC
abstract	The present-day world is severely suffering from the recently emerged SARS-CoV-2. The lack of prescribed drugs for the deadly virus has stressed the likely need to identify novel inhibitors to alleviate and stop the pandemic. In the present high throughput virtual screening study, we used in silico techniques like receptor-ligand docking, Molecular dynamic (MD), and ADME properties to screen natural compounds. It has been documented that many natural compounds display antiviral activities, including anti–SARS-CoV effect. The present study deals with compounds of Natural Product Activity and Species Source (NPASS) database with known biological activity that probably impedes the activity of six essential enzymes of the virus. Promising drug-like compounds were identified, demonstrating better docking score and binding energy for each druggable targets. After an extensive screening analysis, three novel multi-target natural compounds were predicted to subdue the activity of three/more major drug targets simultaneously. Concerning the utility of natural compounds in the formulation of many therapies, we propose these compounds as excellent lead candidates for the development of therapeutic drugs against SARS-CoV-2.
has issue date	2020-05-26(xsd:dateTime)
bibo:doi	10.1016/j.ijbiomac.2020.05.184
bibo:pmid	32470577
has license	no-cc
sha1sum (hex)	6e1f1c5423ab2f106a0ebfb0bc43c4c6a5afd7b2
schema:url	https://doi.org/10.1016/j.ijbiomac.2020.05.184
resource representing a document's title	High throughput virtual screening reveals SARS-CoV-2 multi-target binding natural compounds to lead instant therapy for COVID-19 treatment
has PubMed Central identifier	PMC7250083
has PubMed identifier	32470577
schema:publication	Int J Biol Macromol
resource representing a document's body	covid:6e1f1c5423ab2f106a0ebfb0bc43c4c6a5afd7b2#body_text
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