Docking-Based Virtual Screening Enables Prioritizing Protein Kinase Inhibitors With
ATP pocket
Schistosoma mansoni (S. mansoni)
in silico drug screening
in vitro phenotypic screening
kinase inhibitor
molecular docking
protein kinases
Journal
Frontiers in cellular and infection microbiology
ISSN: 2235-2988
Titre abrégé: Front Cell Infect Microbiol
Pays: Switzerland
ID NLM: 101585359
Informations de publication
Date de publication:
2022
2022
Historique:
received:
05
04
2022
accepted:
02
06
2022
entrez:
22
7
2022
pubmed:
23
7
2022
medline:
26
7
2022
Statut:
epublish
Résumé
Schistosomiasis is a parasitic neglected disease with praziquantel (PZQ) utilized as the main drug for treatment, despite its low effectiveness against early stages of the worm. To aid in the search for new drugs to tackle schistosomiasis, computer-aided drug design has been proved a helpful tool to enhance the search and initial identification of schistosomicidal compounds, allowing fast and cost-efficient progress in drug discovery. The combination of high-throughput
Identifiants
pubmed: 35865824
doi: 10.3389/fcimb.2022.913301
pmc: PMC9294739
doi:
Substances chimiques
Protein Kinase Inhibitors
0
Praziquantel
6490C9U457
Types de publication
Journal Article
Research Support, Non-U.S. Gov't
Langues
eng
Sous-ensembles de citation
IM
Pagination
913301Informations de copyright
Copyright © 2022 Moreira, Batista, Tavares, Armstrong, Gava, Torres, Mourão and Falcone.
Déclaration de conflit d'intérêts
The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest.
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