Document Type : Research Paper
Authors
1
PhD. Student, Department of Plant Protection, College of Agricultural Sciences and Food Industries, Science and Research Branch, Islamic Azad University, Tehran, Iran
2
Assistant Professor, Department of Plant Protection, College of Agricultural Sciences and Food Industries, Science and Research Branch, Islamic Azad University, Tehran, Iran
3
Associate Professor, Department of Plant viruses, Iranian Research Institute of Plant Protection, Agricultural Research, Education and Extension Organization (AREEO), Tehran, Iran
4
Professor, Department of Plant Protection, College of Agricultural Sciences and Food Industries, Science and Research Branch, Islamic Azad University, Tehran, Iran
5
Research Scientist, Istituto Agronomico Mediterranero di Bari, Via Ceglie 9, 70010 Valenzano (BA), Italy
Abstract
Nowadays, antibody engineering is an important approach to design and generate of therapeutic and diagnostic antibodies. The study of the interactions between antibodies and antigens is a critical step in the design of antibodies with desired properties, In silico docking analyzes is a useful tool for structural characterization of bimolecular interactions. Docking is the process of predicting bound conformations and binding enthalpy of antibody–antigen complexes. In this study, the three-dimensional structures of FMV nucleocapsid protein as an antigen as well as monoclonal antibody in form of scFv which was selected against the antigen by Phage display technique were built by I-TASSER software and then the binding complexes and molecular dynamics (MD) simulations were done by Hex software. By analyzing of the FMVNp-scFv complexes, important amino acids involved in antigen–antibody interactions were identified which all of them were belong to the CDRs. In conclusion, results obtained from this bioinformatics study could be helpful to design and development of the new antibodies with high affinities for FMV diagnosis.
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