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dc.contributor.author
Goncearenco, Alexander
dc.contributor.author
Li, Minghui
dc.contributor.author
Simonetti, Franco Lucio
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dc.contributor.author
Shoemaker, Benjamin A
dc.contributor.author
Panchenko, Anna R
dc.contributor.other
Lazar, Iuliana M
dc.contributor.other
Kontoyianni, Maria
dc.contributor.other
Lazar, Alexandru C
dc.date.available
2020-03-16T18:33:50Z
dc.date.issued
2017
dc.identifier.citation
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
dc.identifier.isbn
978-1-4939-7200-5
dc.identifier.uri
http://hdl.handle.net/11336/99665
dc.description.abstract
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.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Humana Press
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
PROTEIN PROTEIN INTERACTIONS
dc.subject
DRUG DISCOVERY
dc.subject
CANCER
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DRUG RESISTANCE MUTATIONS
dc.subject.classification
Ciencias de la Información y Bioinformática
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dc.subject.classification
Ciencias de la Computación e Información
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dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
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dc.title
Exploring Protein-Protein Interactions as Drug Targets for Anti-cancer Therapy with In Silico Workflows
dc.type
info:eu-repo/semantics/publishedVersion
dc.type
info:eu-repo/semantics/bookPart
dc.type
info:ar-repo/semantics/parte de libro
dc.date.updated
2020-02-19T20:25:11Z
dc.journal.volume
1647
dc.journal.pagination
221-236
dc.journal.pais
Estados Unidos
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dc.journal.ciudad
Totowa
dc.description.fil
Fil: Goncearenco, Alexander. National Institutes of Health; Estados Unidos
dc.description.fil
Fil: Li, Minghui. Soochow University; China. National Institutes of Health; Estados Unidos
dc.description.fil
Fil: Simonetti, Franco Lucio. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Parque Centenario. Instituto de Investigaciones Bioquímicas de Buenos Aires. Fundación Instituto Leloir. Instituto de Investigaciones Bioquímicas de Buenos Aires; Argentina
dc.description.fil
Fil: Shoemaker, Benjamin A. National Institutes of Health; Estados Unidos
dc.description.fil
Fil: Panchenko, Anna R. National Institutes of Health; Estados Unidos
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://link.springer.com/protocol/10.1007%2F978-1-4939-7201-2_15
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1007/978-1-4939-7201-2_15
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5880202/
dc.conicet.paginas
302
dc.source.titulo
Proteomics for Drug Discovery: Methods and Protocols
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