Capítulo de Libro
Exploring Protein-Protein Interactions as Drug Targets for Anti-cancer Therapy with In Silico Workflows
Título del libro: Proteomics for Drug Discovery: Methods and Protocols
Goncearenco, Alexander; Li, Minghui; Simonetti, Franco Lucio
; Shoemaker, Benjamin A; Panchenko, Anna R
![Icon](/themes/CONICETDigital/images/conicet.png)
Fecha de publicación:
2017
Editorial:
Humana Press
ISBN:
978-1-4939-7200-5
Idioma:
Inglés
Clasificación temática:
Resumen
We describe a computational protocol to aid the design of small molecule and peptide drugs that target protein-protein interactions, particularly for anti-cancer therapy. To achieve this goal, we explore multiple strategies, including finding binding hot spots, incorporating chemical similarity and bioactivity data, and sampling similar binding sites from homologous protein complexes. We demonstrate how to combine existing interdisciplinary resources with examples of semi-automated workflows. Finally, we discuss several major problems, including the occurrence of drug-resistant mutations, drug promiscuity, and the design of dual-effect inhibitors.
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Citación
Goncearenco, Alexander; Li, Minghui; Simonetti, Franco Lucio; Shoemaker, Benjamin A; Panchenko, Anna R; Exploring Protein-Protein Interactions as Drug Targets for Anti-cancer Therapy with In Silico Workflows; Humana Press; 1647; 2017; 221-236
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