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...
Guardado en:
| Autor principal: | |
|---|---|
| Otros Autores: | , , , |
| Formato: | Capítulo de libro |
| Lenguaje: | Inglés |
| Publicado: |
Elsevier B.V.
2015
|
| Acceso en línea: | Registro en Scopus DOI Handle Registro en la Biblioteca Digital |
| Aporte de: | Registro referencial: Solicitar el recurso aquí |
| LEADER | 12653caa a22014417a 4500 | ||
|---|---|---|---|
| 001 | PAPER-13237 | ||
| 003 | AR-BaUEN | ||
| 005 | 20230518204332.0 | ||
| 008 | 190411s2015 xx ||||fo|||| 00| 0 eng|d | ||
| 024 | 7 | |2 scopus |a 2-s2.0-84943661009 | |
| 024 | 7 | |2 cas |a amino acid, 65072-01-7; arginylglycylaspartic acid, 99896-85-2; protein VP1, 92354-95-5; Antibodies, Monoclonal; Antibodies, Neutralizing; Antibodies, Viral; Antigens, Viral; Capsid Proteins; Epitopes; Immunodominant Epitopes; VP1 protein, Foot-and-mouth disease virus | |
| 040 | |a Scopus |b spa |c AR-BaUEN |d AR-BaUEN | ||
| 030 | |a JIMMB | ||
| 100 | 1 | |a Marrero, R. | |
| 245 | 1 | 2 | |a A computational study of the interaction of the foot and mouth disease virus VP1 with monoclonal antibodies |
| 260 | |b Elsevier B.V. |c 2015 | ||
| 270 | 1 | 0 | |m König, G.A.; Laboratorio de Virus Animales, Instituto de Biotecnología, CICVyA, INTA CastelarArgentina; email: konig.guidoalberto@inta.gob.ar |
| 506 | |2 openaire |e Política editorial | ||
| 504 | |a Bonnet, E., Van De Peer, Y., Zt: a software tool for simple and partial Mantel tests (2002) J. Stat. Softw., 7, p. 1 | ||
| 504 | |a Doel, T.R., FMD vaccines (2003) Virus Res., 91, p. 81 | ||
| 504 | |a Feigelstock, D.A., Mateu, M.G., Valero, M.L., Andreu, D., Domingo, E., Palma, E.L., Emerging foot-and-mouth disease virus variants with antigenically critical amino acid substitutions predicted by model studies using reference viruses (1996) Vaccine, 14, p. 97 | ||
| 504 | |a Fry, E.E., Lea, S.M., Jackson, T., Newman, J.W., Ellard, F.M., Blakemore, W.E., Abu-Ghazaleh, R., Stuart, D.I., The structure and function of a foot-and-mouth disease virus-oligosaccharide receptor complex (1999) EMBO J., 18, p. 543 | ||
| 504 | |a Jackson, T., King, A.M., Stuart, D.I., Fry, E., Structure and receptor binding (2003) Virus Res., 91, p. 33 | ||
| 504 | |a Kiel, C., Serrano, L., Prediction of Ras-effector interactions using position energy matrices (2007) Bioinformatics, 23, p. 2226 | ||
| 504 | |a Kiel, C., Serrano, L., Herrmann, C., A detailed thermodynamic analysis of ras/effector complex interfaces (2004) J. Mol. Biol., 340, p. 1039 | ||
| 504 | |a Kiel, C., Wohlgemuth, S., Rousseau, F., Schymkowitz, J., Ferkinghoff-Borg, J., Wittinghofer, F., Serrano, L., Recognizing and defining true Ras binding domains II: in silico prediction based on homology modelling and energy calculations (2005) J. Mol. Biol., 348, p. 759 | ||
| 504 | |a Kim, M.O., Nichols, S.E., Wang, Y., McCammon, J.A., Effects of histidine protonation and rotameric states on virtual screening of M. tuberculosis RmlC (2013) J. Comput. Aided Mol. Des., 27, p. 235 | ||
| 504 | |a Lauck, F., Smith, C.A., Friedland, G.F., Humphris, E.L., Kortemme, T., RosettaBackrub-a web server for flexible backbone protein structure modeling and design (2010) Nucleic Acids Res., 38, p. W569 | ||
| 504 | |a London, N., Raveh, B., Cohen, E., Fathi, G., Schueler-Furman, O., Rosetta FlexPepDock web server-high resolution modeling of peptide-protein interactions (2011) Nucleic Acids Res., 39, p. W249 | ||
| 504 | |a Mateu, M.G., Verdaguer, N., Functional and structural aspects of the interaction of Foot-and-Mouth Disease Virus with antibodies (2004) Foot-and-Mouth Disease Virus: Current Perspective, p. 223. , Horizon Bioscience, F. Sobrino, E. Domingo (Eds.) | ||
| 504 | |a Mateu, M.G., Rocha, E., Vicente, O., Vayreda, F., Navalpotro, C., Andreu, D., Pedroso, E., Domingo, E., Reactivity with monoclonal antibodies of viruses from an episode of foot-and-mouth disease (1987) Virus Res., 8, p. 261 | ||
| 504 | |a Mateu, M.G., Martinez, M.A., Capucci, L., Andreu, D., Giralt, E., Sobrino, F., Brocchi, E., Domingo, E., A single amino acid substitution affects multiple overlapping epitopes in the major antigenic site of foot-and-mouth disease virus of serotype C (1990) J. Gen. Virol., 71, p. 629 | ||
| 504 | |a Ochoa, W.F., Kalko, S.G., Mateu, M.G., Gomes, P., Andreu, D., Domingo, E., Fita, I., Verdaguer, N., A multiply substituted G-H loop from foot-and-mouth disease virus in complex with a neutralizing antibody: a role for water molecules (2000) J. Gen. Virol., 81, p. 1495 | ||
| 504 | |a Pettersen, E.F., Goddard, T.D., Huang, C.C., Couch, G.S., Greenblatt, D.M., Meng, E.C., Ferrin, T.E., UCSF Chimera-a visualization system for exploratory research and analysis (2004) J. Comput. Chem., 25, p. 1605 | ||
| 504 | |a Petukh, M., Stefl, S., Alexov, E., The role of protonation states in ligand-receptor recognition and binding (2013) Curr. Pharm. Des., 19, p. 4182 | ||
| 504 | |a Rueckert, R.R., Picornaviridae: the viruses and their replication (1996) Fields Virology, p. 609. , Lippincott-Raven Publishers, Philadelphia, B.N. Fields, D.M. Knipe, P.M. Howley (Eds.) | ||
| 504 | |a Sali, A., Blundell, T.L., Comparative protein modelling by satisfaction of spatial restraints (1993) J. Mol. Biol., 234, p. 779 | ||
| 504 | |a Sanner, M.F., Olson, A.J., Spehner, J.C., Reduced surface: an efficient way to compute molecular surfaces (1996) Biopolymers, 38, p. 305 | ||
| 504 | |a Schymkowitz, J., Borg, J., Stricher, F., Nys, R., Rousseau, F., Serrano, L., The FoldX web server: an online force field (2005) Nucleic Acids Res., 33, p. W382 | ||
| 504 | |a Smith, C.A., Kortemme, T., Backrub-like backbone simulation recapitulates natural protein conformational variability and improves mutant side-chain prediction (2008) J. Mol. Biol., 380, p. 742 | ||
| 504 | |a Smith, C.A., Kortemme, T., Structure-based prediction of the peptide sequence space recognized by natural and synthetic PDZ domains (2010) J. Mol. Biol., 402, p. 460 | ||
| 504 | |a Smith, C.A., Kortemme, T., Predicting the tolerated sequences for proteins and protein interfaces using RosettaBackrub flexible backbone design (2011) PLoS One, 6, p. e20451 | ||
| 504 | |a Surovoi, A., Ivanov, V.T., Chepurkin, A.V., Ivaniushchenkov, V.N., Driagalin, N.N., Is the Arg-Gly-Asp sequence the site for foot-and-mouth disease virus binding with cell receptor? (1988) Bioorg. Khim., 14, p. 965 | ||
| 504 | |a Sutmoller, P., Barteling, S.S., Olascoaga, R.C., Sumption, K.J., Control and eradication of foot-and-mouth disease (2003) Virus Res., 91, p. 101 | ||
| 504 | |a Verdaguer, N., Mateu, M.G., Bravo, J., Tormo, J., Giralt, E., Andreu, D., Domingo, E., Fita, I., Crystallization and preliminary X-ray diffraction studies of a monoclonal antibody Fab fragment against foot-and-mouth disease virus and of its complex with the main antigenic site peptide (1994) Proteins, 18, p. 201 | ||
| 504 | |a Verdaguer, N., Mateu, M.G., Andreu, D., Giralt, E., Domingo, E., Fita, I., Structure of the major antigenic loop of foot-and-mouth disease virus complexed with a neutralizing antibody: direct involvement of the Arg-Gly-Asp motif in the interaction (1995) EMBO J., 14, p. 1690 | ||
| 504 | |a Verdaguer, N., Mateu, M.G., Bravo, J., Domingo, E., Fita, I., Induced pocket to accommodate the cell attachment Arg-Gly-Asp motif in a neutralizing antibody against foot-and-mouth-disease virus (1996) J. Mol. Biol., 256, p. 364 | ||
| 504 | |a Verdaguer, N., Fita, I., Domingo, E., Mateu, M.G., Efficient neutralization of foot-and-mouth disease virus by monovalent antibody binding (1997) J. Virol., 71, p. 9813 | ||
| 504 | |a Verdaguer, N., Sevilla, N., Valero, M.L., Stuart, D., Brocchi, E., Andreu, D., Giralt, E., Fita, I., A similar pattern of interaction for different antibodies with a major antigenic site of foot-and-mouth disease virus: implications for intratypic antigenic variation (1998) J. Virol., 72, p. 739 | ||
| 504 | |a Verdaguer, N., Schoehn, G., Ochoa, W.F., Fita, I., Brookes, S., King, A., Domingo, E., Hewat, E.A., Flexibility of the major antigenic loop of foot-and-mouth disease virus bound to a Fab fragment of a neutralising antibody: structure and neutralisation (1999) Virology, 255, p. 260 | ||
| 520 | 3 | |a 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. |l eng | |
| 536 | |a Detalles de la financiación: Instituto Nacional de Tecnología Agropecuaria, PE_AESA_201721 | ||
| 536 | |a Detalles de la financiación: Agencia Nacional de Promoción Científica y Tecnológica, 1728/OC-AR-PAE | ||
| 536 | |a Detalles de la financiación: Instituto Nacional de Tecnología Agropecuaria Project PE_AESA_201721 and Agencia Nacional de Promoción Científica y Tecnológica Project INTA-BID 1728/OC-AR-PAE 37206-PICT No 33 . Appendix A | ||
| 593 | |a Laboratorio de Virus Animales, Instituto de Biotecnología, CICVyA, INTA Castelar, Buenos Aires, Argentina | ||
| 593 | |a Laboratorio de Bioinformática Estructural, Departamento de Química Biológica, INQUIMAE FCEN, UBA, Buenos Aires, Argentina | ||
| 593 | |a CONICET, Argentina | ||
| 593 | |a INQUIMAE/CONICET, Argentina | ||
| 690 | 1 | 0 | |a ANTIBODY |
| 690 | 1 | 0 | |a BIOINFORMATICS |
| 690 | 1 | 0 | |a ELISA |
| 690 | 1 | 0 | |a EPITOPE |
| 690 | 1 | 0 | |a FMDV |
| 690 | 1 | 0 | |a INTERACTION ENERGY |
| 690 | 1 | 0 | |a AMINO ACID |
| 690 | 1 | 0 | |a ARGINYLGLYCYLASPARTIC ACID |
| 690 | 1 | 0 | |a EPITOPE |
| 690 | 1 | 0 | |a MONOCLONAL ANTIBODY |
| 690 | 1 | 0 | |a NEUTRALIZING ANTIBODY |
| 690 | 1 | 0 | |a PROTEIN VP1 |
| 690 | 1 | 0 | |a CAPSID PROTEIN |
| 690 | 1 | 0 | |a MONOCLONAL ANTIBODY |
| 690 | 1 | 0 | |a NEUTRALIZING ANTIBODY |
| 690 | 1 | 0 | |a VIRUS ANTIBODY |
| 690 | 1 | 0 | |a VIRUS ANTIGEN |
| 690 | 1 | 0 | |a VP1 PROTEIN, FOOT-AND-MOUTH DISEASE VIRUS |
| 690 | 1 | 0 | |a ANTIBODY RESPONSE |
| 690 | 1 | 0 | |a ANTIGEN ANTIBODY COMPLEX |
| 690 | 1 | 0 | |a ANTIGEN ANTIBODY REACTION |
| 690 | 1 | 0 | |a ANTIGENICITY |
| 690 | 1 | 0 | |a ARTICLE |
| 690 | 1 | 0 | |a BINDING AFFINITY |
| 690 | 1 | 0 | |a BIOINFORMATICS |
| 690 | 1 | 0 | |a ENZYME LINKED IMMUNOSORBENT ASSAY |
| 690 | 1 | 0 | |a FOOT AND MOUTH DISEASE VIRUS |
| 690 | 1 | 0 | |a HUMORAL IMMUNITY |
| 690 | 1 | 0 | |a MATHEMATICAL ANALYSIS |
| 690 | 1 | 0 | |a MOLECULAR MODEL |
| 690 | 1 | 0 | |a PRIORITY JOURNAL |
| 690 | 1 | 0 | |a VIRUS CELL INTERACTION |
| 690 | 1 | 0 | |a VIRUS MUTATION |
| 690 | 1 | 0 | |a ANIMAL |
| 690 | 1 | 0 | |a BIOLOGY |
| 690 | 1 | 0 | |a FOOT AND MOUTH DISEASE |
| 690 | 1 | 0 | |a FOOT AND MOUTH DISEASE VIRUS |
| 690 | 1 | 0 | |a IMMUNOLOGY |
| 690 | 1 | 0 | |a PROCEDURES |
| 690 | 1 | 0 | |a SERODIAGNOSIS |
| 690 | 1 | 0 | |a ANIMALS |
| 690 | 1 | 0 | |a ANTIBODIES, MONOCLONAL |
| 690 | 1 | 0 | |a ANTIBODIES, NEUTRALIZING |
| 690 | 1 | 0 | |a ANTIBODIES, VIRAL |
| 690 | 1 | 0 | |a ANTIGENS, VIRAL |
| 690 | 1 | 0 | |a CAPSID PROTEINS |
| 690 | 1 | 0 | |a COMPUTATIONAL BIOLOGY |
| 690 | 1 | 0 | |a EPITOPES |
| 690 | 1 | 0 | |a FOOT-AND-MOUTH DISEASE |
| 690 | 1 | 0 | |a FOOT-AND-MOUTH DISEASE VIRUS |
| 690 | 1 | 0 | |a IMMUNITY, HUMORAL |
| 690 | 1 | 0 | |a IMMUNODOMINANT EPITOPES |
| 690 | 1 | 0 | |a NEUTRALIZATION TESTS |
| 700 | 1 | |a Limardo, R.R. | |
| 700 | 1 | |a Carrillo, E. | |
| 700 | 1 | |a König, G.A. | |
| 700 | 1 | |a Turjanski, A.G. | |
| 773 | 0 | |d Elsevier B.V., 2015 |g v. 425 |h pp. 51-57 |p J. Immunol. Methods |x 00221759 |w (AR-BaUEN)CENRE-5615 |t Journal of Immunological Methods | |
| 856 | 4 | 1 | |u https://www.scopus.com/inward/record.uri?eid=2-s2.0-84943661009&doi=10.1016%2fj.jim.2015.06.008&partnerID=40&md5=4dd48f719c6455cb0e321d4e8a918696 |y Registro en Scopus |
| 856 | 4 | 0 | |u https://doi.org/10.1016/j.jim.2015.06.008 |y DOI |
| 856 | 4 | 0 | |u https://hdl.handle.net/20.500.12110/paper_00221759_v425_n_p51_Marrero |y Handle |
| 856 | 4 | 0 | |u https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00221759_v425_n_p51_Marrero |y Registro en la Biblioteca Digital |
| 961 | |a paper_00221759_v425_n_p51_Marrero |b paper |c PE | ||
| 962 | |a info:eu-repo/semantics/article |a info:ar-repo/semantics/artículo |b info:eu-repo/semantics/publishedVersion | ||
| 999 | |c 74190 | ||