Mechanistic Insights into the Adsorption of Monoclonal Antibodies at the Water/Vapor Interface.

ABSTRACT: Monoclonal antibodies (mAbs) are active components of therapeutic formulations that interact with the water-vapor interface during manufacturing, storage, and administration. Surface adsorption has been demonstrated to mediate antibody aggregation, which leads to a loss of therapeutic efficacy. Controlling mAb adsorption at interfaces requires a deep understanding of the microscopic processes that lead to adsorption and identification of the protein regions that drive mAb surface activity. Here, we report all-atom molecular dynamics (MD) simulations of the adsorption behavior of a full IgG1-type antibody at the water/vapor interface. We demonstrate that small local changes in the protein structure play a crucial role in promoting adsorption. Also, interfacial adsorption triggers structural

SUBMITTER: Saurabh S 

PROVIDER: S-EPMC10848294 | biostudies-literature | 2024 Feb

REPOSITORIES: biostudies-literature