Targeting the Human Influenza a Virus: The Methods, Limitations, and Pitfalls of Virtual Screening for Drug-like Candidates Including Scaffold Hopping and Compound Profiling

In this study, we describe the input data and processing steps to find antiviral lead compounds by a virtual screen. Two-dimensional and three-dimensional filters were designed based on the X-ray crystallographic structures of viral neuraminidase co-crystallized with substrate sialic acid, substrate...

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Detalles Bibliográficos
Autores principales: Scior, Thomas, Cuanalo-Contreras, Karina, Islas, Angel A., Martinez-Laguna, Ygnacio
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10221779/
https://www.ncbi.nlm.nih.gov/pubmed/37243142
http://dx.doi.org/10.3390/v15051056

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10221779/
https://www.ncbi.nlm.nih.gov/pubmed/37243142
http://dx.doi.org/10.3390/v15051056

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