The integration of pharmacophore-based 3D QSAR modeling and virtual screening in safety profiling: A case study to identify antagonistic activities against adenosine receptor, A2A, using 1,897 known drugs

Safety pharmacology screening against a wide range of unintended vital targets using in vitro assays is crucial to understand off-target interactions with drug candidates. With the increasing demand for in vitro assays, ligand- and structure-based virtual screening approaches have been evaluated for...

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Detalles Bibliográficos
Autores principales: Fan, Fan, Toledo Warshaviak, Dora, Hamadeh, Hisham K., Dunn, Robert T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2019
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6317804/
https://www.ncbi.nlm.nih.gov/pubmed/30605479
http://dx.doi.org/10.1371/journal.pone.0204378

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6317804/
https://www.ncbi.nlm.nih.gov/pubmed/30605479
http://dx.doi.org/10.1371/journal.pone.0204378

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