Multivalent Binding of Patterned Polymers

Using inspiration from biology, we can leverage multivalent binding to enhance weak, monovalent binding between molecules. Synthetic glycopolymers have been shown to successfully bind to viruses and toxic proteins. This binding indicates that multivalent polymers are a promising tool for inhibiting target attachment to and subsequent infection of cells. Previous work from our group focused on how structural features of uniform binding site polymers create high affinity and specificity to a single target. In contrast, real synthetic polymers might find it desirable to have multiple binding moieties along the chain. Multiple binding site types allow polymers to target multiple species creating broad-spectrum binding or allow for tracking or imaging in addition to targeted binding. Heterogeneity in binding site patterns can also be a byproduct of chemical synthesis methods. We use a reactive-binding, Brownian dynamics simulation and machine learning to examine how patterning of heterogeneous binding sites along a polymer chain controls binding of a multivalent polymer. Our results provide direction for the rational design of multivalent binders.