The 3D pharmacophore modeling to explore new antischistosomal agents among US FDA approved drugs.
Future Med Chem
; : 1-9, 2024 Jul 29.
Article
en En
| MEDLINE
| ID: mdl-39072451
ABSTRACT
Aim:
To identify potential antischistosomal agents through 3D pharmacophore-based virtual screening of US FDA approved drugs. Materials &methods:
A comprehensive virtual screening was conducted on a dataset of 10,000 FDA approved drugs, employing praziquantel as a template. Promising candidates were selected and assessed for their impact on Schistosoma mansoni viability in vitro and in vivo using S. mansoni infected mice. Results &conclusion:
Among the selected drugs, betamethasone and doxazosin demonstrated in vitro efficacy, with effective concentration 50% (EC50) values ranging from 35 to 60 µM. In vivo studies revealed significant (>50%) reductions in worm burden for both drugs. These findings suggest that betamethasone and doxazosin hold promise for repurposing in treating schistosomiasis. Additionally, the study showcases a useful approach for identifying new antischistosomal drugs.
Discovering new treatments for #schistosomiasis is crucial[Formula see text]. Our study used virtual screening to identify potential antischistosomal drugs from US FDA approved compounds [Formula see text]. Promising results in vitro and in vivo. [Formula see text] #drugdiscovery #tropicaldiseases.
Texto completo:
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Base de datos:
MEDLINE
Idioma:
En
Revista:
Future Med Chem
Año:
2024
Tipo del documento:
Article
País de afiliación:
Brasil