Upload resources

Upload your works to SEDICI to increase its visibility and improve its impact

 

Show simple item record

dc.date.accessioned 2025-09-30T15:00:05Z
dc.date.available 2025-09-30T15:00:05Z
dc.date.issued 2024-11-14
dc.identifier.uri http://sedici.unlp.edu.ar/handle/10915/185275
dc.description.abstract The main priority in leishmaniasis-endemic countries is to find safer and more accessible treatments for this neglected disease. In this study, we focus on a drug repositioning strategy using molecular docking. New molecular entities (NMEs) approved by the FDA from 2019 to the present were analyzed. The therapeutic target was the sterol 14-alpha demethylase from Leishmania infantum. Of the 125 NMEs tested, 16 demonstrated greater affinity in virtual screening than the co-crystallized inhibitor (fluconazole). This approach offers a promising method for identifying new uses for existing drugs and provides a rapid way to discover safer treatments for leishmaniasis. en
dc.language en es
dc.subject leishmaniasis es
dc.subject drug repositioning es
dc.subject molecular docking es
dc.subject Leishmania infantum es
dc.subject FDA approved drugs es
dc.title In Silico Study of FDA-Approved Drugs on Leishmania infantum CYP51, a Drug Repositioning Approach in Visceral Leishmaniasis en
dc.type Articulo es
sedici.identifier.other https://doi.org/10.3390/ecsoc-28-20201 es
sedici.identifier.issn 2673-4583 es
sedici.creator.person Guarimata, Juan Diego es
sedici.creator.person Lavecchia, Martín José es
sedici.subject.materias Química es
sedici.description.fulltext true es
mods.originInfo.place Centro de Química Inorgánica es
sedici.subtype Articulo es
sedici.rights.license Creative Commons Attribution 4.0 International (CC BY 4.0)
sedici.rights.uri http://creativecommons.org/licenses/by/4.0/
sedici.relation.event 28th International Electronic Conference on Synthetic Organic Chemistry (On line, 15-30 November 2024) es
sedici.description.peerReview peer-review es
sedici.relation.journalTitle Chemistry Proceedings es
sedici.relation.journalVolumeAndIssue vol. 16, no. 11 es


Download Files

Icon
Documento completo
Download file (923.5Kb) - PDF

This item appears in the following Collection(s)

Creative Commons Attribution 4.0 International (CC BY 4.0) Except where otherwise noted, this item's license is described as Creative Commons Attribution 4.0 International (CC BY 4.0)