Amyloid diseases such as Alzheimer’s and thrombosis are characterized by an
aberrant assembly of specific proteins or protein fragments into fibrils and plaques that are
deposited in various tissues and organs. The single-domain fragment of a camelid antibody
was reported to be able to combat against wild-type human lysozyme for inhibiting in-vitro
aggregations of the amyloidogenic variant (D67H). The present study is aimed at
elucidating the unbinding mechanics between the D67H lysozyme and VHH HL6 antibody
fragment by using steered molecular dynamics (SMD) simulations on a nanosecond scale
with different pulling velocities. The results of the simulation indicated that stretching
forces of more than two nano Newton (nN) were required to dissociate the proteinantibody
system, and the hydrogen bond dissociation pathways were computed.
關聯:
International Journal of Molecular Sciences 10(4)：p.1719-1727
