An anti-DNA antibody prefers damaged dsDNA over native

In particular, antibodies against double-stranded DNA play an important role in the pathogenesis of autoimmune diseases. Elucidation of structural mechanisms of an antigen recognition and interaction of anti-DNA antibodies provides a basis for understanding the role of DNA-containing immune complexes in human pathologies and for new treatments.

Here we used Molecular Dynamic simulations of bimolecular complexes of a segment of dsDNA with a monoclonal anti-DNA antibody’s Fab -fragment to obtain detailed structural and physical characteristics of the dynamic intermolecular interactions. Using a computationally modified crystal structure of a Fab –DNA complex (PDB: 3VW3), we studied in silico equilibrium Molecular Dynamics of the Fab -fragment associated with two homologous dsDNA fragments, containing or not containing dimerized thymine, a product of DNA photodamage.