MatchTope: A tool to predict the cross reactivity of peptides complexed with Major Histocompatibility Complex I.

Autor:	Mendes MFA; Bioinformatic Core, Immunogenetics Laboratory, Genetics Department, Biosciences Institute, Federal University of Rio Grande do Sul, Porto Alegre, Brazil., de Souza Bragatte M; Bioinformatic Core, Immunogenetics Laboratory, Genetics Department, Biosciences Institute, Federal University of Rio Grande do Sul, Porto Alegre, Brazil., Vianna P; Bioinformatic Core, Immunogenetics Laboratory, Genetics Department, Biosciences Institute, Federal University of Rio Grande do Sul, Porto Alegre, Brazil., de Freitas MV; Bioinformatic Core, Immunogenetics Laboratory, Genetics Department, Biosciences Institute, Federal University of Rio Grande do Sul, Porto Alegre, Brazil., Pöhner I; Molecular and Cellular Modeling Group, Heidelberg Institute for Theoretical Studies (HITS), Heidelberg, Germany., Richter S; Molecular and Cellular Modeling Group, Heidelberg Institute for Theoretical Studies (HITS), Heidelberg, Germany., Wade RC; Molecular and Cellular Modeling Group, Heidelberg Institute for Theoretical Studies (HITS), Heidelberg, Germany.; Center for Molecular Biology (ZMBH), DKFZ-ZMBH Alliance and Interdisciplinary Center for Scientific Computing (IWR), Heidelberg University, Heidelberg, Germany., Salzano FM; Bioinformatic Core, Immunogenetics Laboratory, Genetics Department, Biosciences Institute, Federal University of Rio Grande do Sul, Porto Alegre, Brazil., Vieira GF; Bioinformatic Core, Immunogenetics Laboratory, Genetics Department, Biosciences Institute, Federal University of Rio Grande do Sul, Porto Alegre, Brazil.; Post-Graduation Program in Health and Human Development, Universidade La Salle Canoas, Canoas, Brazil.
Jazyk:	angličtina
Zdroj:	Frontiers in immunology [Front Immunol] 2022 Oct 28; Vol. 13, pp. 930590. Date of Electronic Publication: 2022 Oct 28 (Print Publication: 2022).
DOI:	10.3389/fimmu.2022.930590
Abstrakt:	The therapeutic targeting of the immune system, for example in vaccinology and cancer treatment, is a challenging task and the subject of active research. Several in silico tools used for predicting immunogenicity are based on the analysis of peptide sequences binding to the Major Histocompatibility Complex (pMHC). However, few of these bioinformatics tools take into account the pMHC three-dimensional structure. Here, we describe a new bioinformatics tool, MatchTope, developed for predicting peptide similarity, which can trigger cross-reactivity events, by computing and analyzing the electrostatic potentials of pMHC complexes. We validated MatchTope by using previously published data from in vitro assays. We thereby demonstrate the strength of MatchTope for similarity prediction between targets derived from several pathogens as well as for indicating possible cross responses between self and tumor peptides. Our results suggest that MatchTope can enhance and speed up future studies in the fields of vaccinology and cancer immunotherapy. Competing Interests: The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest. (Copyright © 2022 Mendes, de Souza Bragatte, Vianna, de Freitas, Pöhner, Richter, Wade, Salzano and Vieira.)
Databáze:	MEDLINE
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