Identification and validation of fusidic acid and flufenamic acid as inhibitors of SARS-CoV-2 replication using DrugSolver CavitomiX

In this work, we present DrugSolver CavitomiX, a novel computational pipeline for drug repurposing and identifying ligands and inhibitors of target enzymes. The pipeline is based on cavity point clouds representing physico-chemical properties of the cavity induced solely by the protein. To test the...

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Detalles Bibliográficos
Autores principales: Hetmann, M., Langner, C., Durmaz, V., Cespugli, M., Köchl, K., Krassnigg, A., Blaschitz, K., Groiss, S., Loibner, M., Ruau, D., Zatloukal, K., Gruber, K., Steinkellner, G., Gruber, C. C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10362000/
https://www.ncbi.nlm.nih.gov/pubmed/37479788
http://dx.doi.org/10.1038/s41598-023-39071-z

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10362000/
https://www.ncbi.nlm.nih.gov/pubmed/37479788
http://dx.doi.org/10.1038/s41598-023-39071-z

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