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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Detalhes bibliográficos
Publicado no:PLoS Comput Biol
Main Authors: Melagraki, Georgia, Ntougkos, Evangelos, Rinotas, Vagelis, Papaneophytou, Christos, Leonis, Georgios, Mavromoustakos, Thomas, Kontopidis, George, Douni, Eleni, Afantitis, Antreas, Kollias, George
Formato: Artigo
Idioma:Inglês
Publicado em: Public Library of Science 2017
Assuntos:
Research Article
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5398486/
https://ncbi.nlm.nih.gov/pubmed/28426652
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pcbi.1005372
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