An Integrative in silico Drug Repurposing Approach for Identification of Potential Inhibitors of SARS-CoV-2 Main Protease.
COVID-19
PBPK modeling
drug repurposing
drug-gene-disease associations
pleiotropic effects
Journal
Molecular informatics
ISSN: 1868-1751
Titre abrégé: Mol Inform
Pays: Germany
ID NLM: 101529315
Informations de publication
Date de publication:
05 2021
05 2021
Historique:
received:
30
07
2020
accepted:
15
02
2021
pubmed:
1
4
2021
medline:
18
5
2021
entrez:
31
3
2021
Statut:
ppublish
Résumé
Considering the urgent need for novel therapeutics in ongoing COVID-19 pandemic, drug repurposing approach might offer rapid solutions comparing to de novo drug design. In this study, we designed an integrative in silico drug repurposing approach for rapid selection of potential candidates against SARS-CoV-2 Main Protease (M
Identifiants
pubmed: 33787066
doi: 10.1002/minf.202000187
pmc: PMC8250230
doi:
Substances chimiques
Antiviral Agents
0
Protease Inhibitors
0
Viral Matrix Proteins
0
membrane protein, SARS-CoV-2
0
Types de publication
Journal Article
Research Support, Non-U.S. Gov't
Langues
eng
Sous-ensembles de citation
IM
Pagination
e2000187Subventions
Organisme : Ministry of Science and Technological Development of the Republic of Serbia
ID : 451-03-9/2021-14/200161
Organisme : Scientific Computing Laboratory
Organisme : National Center of Excellence for the Study of Complex Systems
Organisme : Institute of Physics Belgrade
Organisme : Ministry of Education, Science, and Technological Development of the Republic of Serbia
Informations de copyright
© 2021 Wiley-VCH GmbH.
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