Exploring the Interactions between Amphiphilic Block Copolymers and Protein Biologics: A Study Combining Molecular Dynamics Simulations with Experimental Verification
| Interdisciplinary Areas: | Data and Engineering Applications, Engineering-Medicine |
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Project Description
Amphiphilic block copolymers (ABCs) are increasingly considered as potential excipients for protein biologics, including monoclonal antibody (mAb) drugs. For optimal performance, an ideal ABC should feature a hydrophobic block that is sufficiently hydrophobic to effectively prevent mAb molecules from interacting with various aqueous interfaces, yet not so hydrophobic that it binds to the mAb molecules' hydrophobic motifs. Currently, a general principle for determining the optimal hydrophobicity of the ABC’s hydrophobic component to maximize protection of mAb molecules against aggregation and denaturation is lacking, which is the gap this research aims to address. Initially, this study will use a coarse-grained molecular dynamics (MD) simulation approach to identify a desirable range of hydrophobicity for ABCs in terms of its effective interaction parameter against water. This data will then inform the design and synthesis of ABC materials with varying degrees of hydrophobicity. Employing these model ABC materials, their interactions with model mAb compounds, as well as the self-assembly and phase behavior of these mixtures, will be experimentally examined through scattering and imaging experiments to compare and validate theoretical predictions.
Start Date
4/1/2025
Postdoc qualifications
| An ideal candidate for this project would be a recent PhD graduate with a background in molecular theory and simulations acquired during their graduate studies, who is eager to expand their expertise into experimental polymer and soft matter fields, specifically polymer chemistry (synthesis) and physics (scattering and microscopy). Proficiency in both written and spoken English is required. The Gilberth Fellow will be expected to work independently in Purdue University laboratories under the guidance of the designated Co-Advisors. |
Bibliography
Ming Chen, Assistant Professor, Tarpo Department of Chemistry, College of Science, Email: chen4116@purdue.edu