A computational study of the interaction of the foot and mouth disease virus VP1 with monoclonal antibodies

Foot and mouth disease is caused by a non-enveloped virus (FMDV), which disposes several antigenic sites at the surface of their capsid proteins. The most relevant and immunodominant antigenic site of FMDV (site A or AnSA) includes a key virus-cell interaction element (RGD motif) located in the Vira...

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Detalles Bibliográficos
Autores principales:	König, Guido Alberto, Turjanski, Adrián Gustavo
Publicado:	2015
Materias:	Antibody Bioinformatics ELISA Epitope FMDV Interaction energy amino acid arginylglycylaspartic acid epitope monoclonal antibody neutralizing antibody protein VP1 capsid protein virus antibody virus antigen VP1 protein, Foot-and-mouth disease virus antibody response antigen antibody complex antigen antibody reaction antigenicity Article binding affinity bioinformatics enzyme linked immunosorbent assay Foot and mouth disease virus humoral immunity mathematical analysis molecular model priority journal virus cell interaction virus mutation animal biology foot and mouth disease immunology procedures serodiagnosis Animals Antibodies, Monoclonal Antibodies, Neutralizing Antibodies, Viral Antigens, Viral Capsid Proteins Computational Biology Epitopes Foot-and-Mouth Disease Foot-and-Mouth Disease Virus Immunity, Humoral Immunodominant Epitopes Neutralization Tests
Acceso en línea:	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00221759_v425_n_p51_Marrero http://hdl.handle.net/20.500.12110/paper_00221759_v425_n_p51_Marrero
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

id	paper:paper_00221759_v425_n_p51_Marrero
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spelling	paper:paper_00221759_v425_n_p51_Marrero2023-06-08T14:46:54Z A computational study of the interaction of the foot and mouth disease virus VP1 with monoclonal antibodies König, Guido Alberto Turjanski, Adrián Gustavo Antibody Bioinformatics ELISA Epitope FMDV Interaction energy amino acid arginylglycylaspartic acid epitope monoclonal antibody neutralizing antibody protein VP1 capsid protein monoclonal antibody neutralizing antibody virus antibody virus antigen VP1 protein, Foot-and-mouth disease virus antibody response antigen antibody complex antigen antibody reaction antigenicity Article binding affinity bioinformatics enzyme linked immunosorbent assay Foot and mouth disease virus humoral immunity mathematical analysis molecular model priority journal virus cell interaction virus mutation animal biology foot and mouth disease Foot and mouth disease virus immunology procedures serodiagnosis Animals Antibodies, Monoclonal Antibodies, Neutralizing Antibodies, Viral Antigens, Viral Capsid Proteins Computational Biology Epitopes Foot-and-Mouth Disease Foot-and-Mouth Disease Virus Immunity, Humoral Immunodominant Epitopes Neutralization Tests Foot and mouth disease is caused by a non-enveloped virus (FMDV), which disposes several antigenic sites at the surface of their capsid proteins. The most relevant and immunodominant antigenic site of FMDV (site A or AnSA) includes a key virus-cell interaction element (RGD motif) located in the Viral Protein 1 (VP1), more precisely at the GH loop. AnSA includes a set of overlapped and mainly linear epitopes, which are the main targets of the humoral immune response. Taking advantage over specific structural features of the GH loop, we have evaluated the influence of every amino acid residue at AnSA in the interaction with 2 neutralizing antibodies by molecular modeling techniques. Additionally, we constructed diverse interaction complexes with multiple site A mutants and discussed about the structural influence of amino acidic insertions in such relevant antigenic site of FMDV. Our approach is in agreement with previous ELISA experiments and allows the understanding of how FMDV mutations may alter the interaction with different antibodies, as we can estimate the contribution of each amino acid to the interaction. Overall, our work contributes to the development of specific vaccination strategies for FMD control. © 2015 Elsevier B.V. Fil:König, G.A. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Turjanski, A.G. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. 2015 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00221759_v425_n_p51_Marrero http://hdl.handle.net/20.500.12110/paper_00221759_v425_n_p51_Marrero
institution	Universidad de Buenos Aires
institution_str	I-28
repository_str	R-134
collection	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic	Antibody Bioinformatics ELISA Epitope FMDV Interaction energy amino acid arginylglycylaspartic acid epitope monoclonal antibody neutralizing antibody protein VP1 capsid protein monoclonal antibody neutralizing antibody virus antibody virus antigen VP1 protein, Foot-and-mouth disease virus antibody response antigen antibody complex antigen antibody reaction antigenicity Article binding affinity bioinformatics enzyme linked immunosorbent assay Foot and mouth disease virus humoral immunity mathematical analysis molecular model priority journal virus cell interaction virus mutation animal biology foot and mouth disease Foot and mouth disease virus immunology procedures serodiagnosis Animals Antibodies, Monoclonal Antibodies, Neutralizing Antibodies, Viral Antigens, Viral Capsid Proteins Computational Biology Epitopes Foot-and-Mouth Disease Foot-and-Mouth Disease Virus Immunity, Humoral Immunodominant Epitopes Neutralization Tests
spellingShingle	Antibody Bioinformatics ELISA Epitope FMDV Interaction energy amino acid arginylglycylaspartic acid epitope monoclonal antibody neutralizing antibody protein VP1 capsid protein monoclonal antibody neutralizing antibody virus antibody virus antigen VP1 protein, Foot-and-mouth disease virus antibody response antigen antibody complex antigen antibody reaction antigenicity Article binding affinity bioinformatics enzyme linked immunosorbent assay Foot and mouth disease virus humoral immunity mathematical analysis molecular model priority journal virus cell interaction virus mutation animal biology foot and mouth disease Foot and mouth disease virus immunology procedures serodiagnosis Animals Antibodies, Monoclonal Antibodies, Neutralizing Antibodies, Viral Antigens, Viral Capsid Proteins Computational Biology Epitopes Foot-and-Mouth Disease Foot-and-Mouth Disease Virus Immunity, Humoral Immunodominant Epitopes Neutralization Tests König, Guido Alberto Turjanski, Adrián Gustavo A computational study of the interaction of the foot and mouth disease virus VP1 with monoclonal antibodies
topic_facet	Antibody Bioinformatics ELISA Epitope FMDV Interaction energy amino acid arginylglycylaspartic acid epitope monoclonal antibody neutralizing antibody protein VP1 capsid protein monoclonal antibody neutralizing antibody virus antibody virus antigen VP1 protein, Foot-and-mouth disease virus antibody response antigen antibody complex antigen antibody reaction antigenicity Article binding affinity bioinformatics enzyme linked immunosorbent assay Foot and mouth disease virus humoral immunity mathematical analysis molecular model priority journal virus cell interaction virus mutation animal biology foot and mouth disease Foot and mouth disease virus immunology procedures serodiagnosis Animals Antibodies, Monoclonal Antibodies, Neutralizing Antibodies, Viral Antigens, Viral Capsid Proteins Computational Biology Epitopes Foot-and-Mouth Disease Foot-and-Mouth Disease Virus Immunity, Humoral Immunodominant Epitopes Neutralization Tests
description	Foot and mouth disease is caused by a non-enveloped virus (FMDV), which disposes several antigenic sites at the surface of their capsid proteins. The most relevant and immunodominant antigenic site of FMDV (site A or AnSA) includes a key virus-cell interaction element (RGD motif) located in the Viral Protein 1 (VP1), more precisely at the GH loop. AnSA includes a set of overlapped and mainly linear epitopes, which are the main targets of the humoral immune response. Taking advantage over specific structural features of the GH loop, we have evaluated the influence of every amino acid residue at AnSA in the interaction with 2 neutralizing antibodies by molecular modeling techniques. Additionally, we constructed diverse interaction complexes with multiple site A mutants and discussed about the structural influence of amino acidic insertions in such relevant antigenic site of FMDV. Our approach is in agreement with previous ELISA experiments and allows the understanding of how FMDV mutations may alter the interaction with different antibodies, as we can estimate the contribution of each amino acid to the interaction. Overall, our work contributes to the development of specific vaccination strategies for FMD control. © 2015 Elsevier B.V.
author	König, Guido Alberto Turjanski, Adrián Gustavo
author_facet	König, Guido Alberto Turjanski, Adrián Gustavo
author_sort	König, Guido Alberto
title	A computational study of the interaction of the foot and mouth disease virus VP1 with monoclonal antibodies
title_short	A computational study of the interaction of the foot and mouth disease virus VP1 with monoclonal antibodies
title_full	A computational study of the interaction of the foot and mouth disease virus VP1 with monoclonal antibodies
title_fullStr	A computational study of the interaction of the foot and mouth disease virus VP1 with monoclonal antibodies
title_full_unstemmed	A computational study of the interaction of the foot and mouth disease virus VP1 with monoclonal antibodies
title_sort	computational study of the interaction of the foot and mouth disease virus vp1 with monoclonal antibodies
publishDate	2015
url	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00221759_v425_n_p51_Marrero http://hdl.handle.net/20.500.12110/paper_00221759_v425_n_p51_Marrero
work_keys_str_mv	AT konigguidoalberto acomputationalstudyoftheinteractionofthefootandmouthdiseasevirusvp1withmonoclonalantibodies AT turjanskiadriangustavo acomputationalstudyoftheinteractionofthefootandmouthdiseasevirusvp1withmonoclonalantibodies AT konigguidoalberto computationalstudyoftheinteractionofthefootandmouthdiseasevirusvp1withmonoclonalantibodies AT turjanskiadriangustavo computationalstudyoftheinteractionofthefootandmouthdiseasevirusvp1withmonoclonalantibodies
_version_	1768544165321244672

A computational study of the interaction of the foot and mouth disease virus VP1 with monoclonal antibodies

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