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dc.contributor.authorPerez, Juan J.
dc.contributor.authorPérez Antoñanzas, Roman
dc.contributor.authorPerez, Alberto
dc.date.accessioned2021-06-09T15:43:05Z
dc.date.available2021-06-09T15:43:05Z
dc.date.issued2021
dc.identifier.citationPerez, Juan J.; Antoñanzas Perez, Roman; Perez, Alberto. Computational modeling as a tool to investigate PPI: from drug design to tissue engineering. Frontiers in Molecular Biosciences, 2021, 8, 681617. Disponible en: <https://www.frontiersin.org/articles/10.3389/fmolb.2021.681617/full>. Fecha de acceso: 9 jun. 2021. DOI: 10.3389/fmolb.2021.681617ca
dc.identifier.issn2296-889Xca
dc.identifier.urihttp://hdl.handle.net/20.500.12328/2614
dc.description.abstractProtein-protein interactions (PPIs) mediate a large number of important regulatory pathways. Their modulation represents an important strategy for discovering novel therapeutic agents. However, the features of PPI binding surfaces make the use of structure-based drug discovery methods very challenging. Among the diverse approaches used in the literature to tackle the problem, linear peptides have demonstrated to be a suitable methodology to discover PPI disruptors. Unfortunately, the poor pharmacokinetic properties of linear peptides prevent their direct use as drugs. However, they can be used as models to design enzyme resistant analogs including, cyclic peptides, peptide surrogates or peptidomimetics. Small molecules have a narrower set of targets they can bind to, but the screening technology based on virtual docking is robust and well tested, adding to the computational tools used to disrupt PPI. We review computational approaches used to understand and modulate PPI and highlight applications in a few case studies involved in physiological processes such as cell growth, apoptosis and intercellular communication.en
dc.format.extent20ca
dc.language.isoengca
dc.publisherFrontiers Media S.A.ca
dc.relation.ispartofFrontiers in Molecular Biosciencesca
dc.relation.ispartofseries8;
dc.rights© 2021 Perez, Perez and Perez. This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the originalauthor(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.en
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/
dc.subject.otherProteïnesca
dc.subject.otherPèptidsca
dc.subject.otherMètodes computacionalsca
dc.subject.otherEpítopsca
dc.subject.otherEnginyeria de teixitsca
dc.subject.otherProteínases
dc.subject.otherPéptidoses
dc.subject.otherMétodos computacionaleses
dc.subject.otherEpítoposes
dc.subject.otherIngeniería de tejidoses
dc.subject.otherProteinsen
dc.subject.otherPeptidesen
dc.subject.otherComputational methodsen
dc.subject.otherEpitopesen
dc.subject.otherTissue engineeringen
dc.titleComputational modeling as a tool to investigate PPI: from drug design to tissue engineeringen
dc.typeinfo:eu-repo/semantics/articleca
dc.description.versioninfo:eu-repo/semantics/publishedVersionca
dc.rights.accessLevelinfo:eu-repo/semantics/openAccess
dc.embargo.termscapca
dc.relation.projectIDinfo:eu-repo/grantAgreement/ES/2PE/RYC2018-​025977-Ica
dc.relation.projectIDinfo:eu-repo/grantAgreement/ES/2PE/RTI2018-096088-J-100ca
dc.subject.udc61ca
dc.identifier.doihttps://dx.doi.org/10.3389/fmolb.2021.681617ca


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© 2021 Perez, Perez and Perez. This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the originalauthor(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.
Excepto si se señala otra cosa, la licencia del ítem se describe como https://creativecommons.org/licenses/by/4.0/
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