Cheminformatics-aided discovery of small-molecule Protein-Protein Interaction (PPI) dual inhibitors of Tumor Necrosis Factor (TNF) and Receptor Activator of NF-κB Ligand (RANKL)

We present an in silico drug discovery pipeline developed and applied for the identification and virtual screening of small-molecule Protein-Protein Interaction (PPI) compounds that act as dual inhibitors of TNF and RANKL through the trimerization interface. The cheminformatics part of the pipeline...

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Detalles Bibliográficos
Autores principales: Melagraki, Georgia, Ntougkos, Evangelos, Rinotas, Vagelis, Papaneophytou, Christos, Leonis, Georgios, Mavromoustakos, Thomas, Kontopidis, George, Douni, Eleni, Afantitis, Antreas, Kollias, George
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2017
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5398486/
https://www.ncbi.nlm.nih.gov/pubmed/28426652
http://dx.doi.org/10.1371/journal.pcbi.1005372

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5398486/
https://www.ncbi.nlm.nih.gov/pubmed/28426652
http://dx.doi.org/10.1371/journal.pcbi.1005372

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