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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

Antibody-mediated biorecognition of myelin oligodendrocyte glycoprotein: computational evidence of demyelination-related epitopes

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Magalhaes Ierich, Jessica Cristiane [1, 2] ; Brum, Doralina Guimaraes [3] ; Moraes, Ariana de Souza [1, 2] ; Higa, Akemi Martins [1, 2] ; Garcia, Pamela Soto [1, 2] ; Miyazaki, Celina Massumi [4] ; Ferreira, Marystela [4] ; Peroni, Luis Antonio [5] ; de Oliveira, Guedmiller Souza [6] ; Franca, Eduardo de Faria [6] ; Gomide Freitas, Luiz Carlos [7] ; Leite, Fabio Lima [1]
Total Authors: 12
[1] Univ Fed Sao Carlos, Nanoneurobiophys Res Grp, Dept Phys Chem & Math, BR-18052780 Sorocaba - Brazil
[2] Univ Sao Paulo, Inst Trop Med Sao Paulo, BR-05403000 Sao Paulo - Brazil
[3] UNESP Sao Paulo State Univ, Dept Neurol Psychol & Psychiat, BR-18618687 Botucatu, SP - Brazil
[4] Univ Fed Sao Carlos, Sci & Technol Ctr Sustainabil, BR-18052780 Sorocaba - Brazil
[5] Rheabiotech Lab Res & Dev, BR-13084791 Campinas, SP - Brazil
[6] Univ Fed Uberlandia, Inst Chem, BR-38400902 Uberlandia, MG - Brazil
[7] Univ Fed Sao Carlos, Dept Chem, BR-13565905 Sao Carlos, SP - Brazil
Total Affiliations: 7
Document type: Journal article
Source: SCIENTIFIC REPORTS; v. 9, FEB 14 2019.
Web of Science Citations: 1

Antigen-antibody interaction is crucial in autoimmune disease pathogenesis, as multiple sclerosis and neuromyelitis optica. Given that, autoantibodies are essential biomolecules, of which the myelin oligodendrocyte glycoprotein (MOG) can figure as a target. Here we combined Molecular Dynamics (MD), Steered Molecular Dynamics (SMD), and Atomic Force Microscope (AFM) to detail MOG recognition by its specific antibody. The complex model consisted of the MOG external domain interacting with an experimental anti-MOG antibody from the Protein Data Bank (1PKQ). Computational data demonstrated thirteen MOG residues with a robust contribution to the antigen-antibody interaction. Comprising five of the thirteen anchor residues (ASP(102), HIS103, SER104, TYR105, and GLN(106)), the well-known MOG(92-106) peptide in complex with the anti-MOG was analysed by AFM and SMD. These analyses evidenced similar force values of 780 pN and 765 pN for computational and experimental MOG(92-106) and anti-MOG detachment, respectively. MOG(92-106) was responsible for 75% of the total force measured between MOG external domain and anti-MOG, holding the interaction with the antibody. The antigen-antibody binding was confirmed by Surface Plasmon Resonance (SPR) measurements. Combined approaches presented here can conveniently be adjusted to detail novel molecules in diseases research. This can optimize pre-clinical steps, guiding experiments, reducing costs, and animal model usage. (AU)

Grantee:Guedmiller Souza de Oliveira
Support Opportunities: Scholarships in Brazil - Post-Doctoral
FAPESP's process: 14/12082-4 - Molecular modeling of the antigen-antibody complex to the investigations of autoimmune demyelinating diseases
Grantee:Jéssica Cristiane Magalhães Ierich
Support Opportunities: Scholarships in Brazil - Doctorate
FAPESP's process: 14/15093-7 - Study of nanostructured systems by surface plasmon resonance (SPR): applications in biosensing
Grantee:Celina Massumi Miyazaki
Support Opportunities: Scholarships in Brazil - Post-Doctoral
FAPESP's process: 14/21530-0 - Imnunonanosensors based on atomic force microscopy for multiple sclerosis studies
Grantee:Pâmela Soto Garcia
Support Opportunities: Scholarships in Brazil - Doctorate
FAPESP's process: 12/50839-4 - Development of new method for detection of anti-aquaporin-4 for the study of neuromyelitis optica
Grantee:Doralina Guimarães Brum Souza
Support Opportunities: Regular Research Grants
FAPESP's process: 15/05283-6 - Nanoimmunosensors development to neuromyelitis optica survey and detection
Grantee:Ariana de Souza Moraes
Support Opportunities: Scholarships in Brazil - Doctorate (Direct)
FAPESP's process: 14/26369-3 - Electrostatic potential of biomolecules immobilized on nanosurfaces
Grantee:Guedmiller Souza de Oliveira
Support Opportunities: Scholarships abroad - Research Internship - Post-doctor
FAPESP's process: 14/50869-6 - INCT 2014: on Organic Electronics
Grantee:Roberto Mendonça Faria
Support Opportunities: Research Projects - Thematic Grants
FAPESP's process: 15/06847-0 - Synthesis and characterization of silver nanoparticles applied to immunoglobulins G detection
Grantee:Akemi Martins Higa
Support Opportunities: Scholarships in Brazil - Master
FAPESP's process: 16/19387-0 - LbL (LAYER-BY-LAYER) and Langmuir-Blodgett (LB) nanostructured films with emodin for systems carriers.
Grantee:Marystela Ferreira
Support Opportunities: Regular Research Grants