Crystal structures and molecular dynamics simulations of a humanised antibody fragment at acidic to basic pH.

ABSTRACT: Antibody-fragment (Fab) therapy development has the potential to be accelerated by computational modelling and simulations that predict their target binding, stability, formulation, manufacturability, and the impact of further protein engineering. Such approaches are currently predicated on starting with good crystal structures that closely represent those found under the solution conditions to be simulated. A33 Fab, is an undeveloped immunotherapeutic antibody candidate that was targeted to the human A33 antigen homogeneously expressed in 95% cases of primary and metastatic colorectal cancers. It is now used as a very well characterised testing ground for developing analytics, formulation and protein engineering strategies, and to gain a deeper understanding of mechanisms of destabilisati

SUBMITTER: Tang J 

PROVIDER: S-EPMC10539359 | biostudies-literature | 2023 Sep

REPOSITORIES: biostudies-literature