Effect of Monovalent Cations on the Structure and Dynamics of Multimodal Chromatographic Surfaces.

ABSTRACT: While multimodal (MM) chromatography is a promising approach for purifying proteins, the lack of a fundamental understanding of how ion-ligand interactions govern selectivity limits its use in the biopharmaceutical industry. This study uses molecular dynamics simulations to study the interactions between simple monovalent cations and two commonly used structurally similar multimodal chromatography ligands, the Capto ligand and Nuvia cPrime, immobilized on the surface. On the Capto ligand surface, ion presence and type play a key role in modulating the formation of phenyl rings and carboxylate clusters. The flexible linkage attaching the Capto ligand to the self-assembled monolayer (SAM) surface allowed multiple ligands to form interactions with the small cations, while large cations intera

SUBMITTER: Lau SC 

PROVIDER: S-EPMC10993413 | biostudies-literature | 2024 Apr

REPOSITORIES: biostudies-literature