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1.
Future Med Chem ; 16(17): 1791-1799, 2024.
Artículo en Inglés | MEDLINE | ID: mdl-39072451

RESUMEN

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.


Asunto(s)
Schistosoma mansoni , United States Food and Drug Administration , Animales , Ratones , Schistosoma mansoni/efectos de los fármacos , Estados Unidos , Aprobación de Drogas , Esquistosomicidas/farmacología , Esquistosomicidas/química , Esquistosomicidas/uso terapéutico , Esquistosomiasis mansoni/tratamiento farmacológico , Modelos Moleculares , Humanos , Farmacóforo
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