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Elucidating the Drug Delivery Mechanism in Porous Antibody Implants Using Molecular Simulations and Graph Theory
Zachary T Mentzer1, Yoonjee C Park2, Mehdi B Zanjani1
1Department of Mechanical and Manufacturing Engineering, Miami University, Oxford 45056, Ohio, United States.
The Journal of Physical Chemistry. B
|August 7, 2025
Summary
Biodegradable polymer implants offer a new approach to drug delivery systems (DDSs) for conditions like macular degeneration. This study used computational models to show how pore structure in membranes affects antibody release, optimizing DDS design.
Area of Science:
- Biomaterials Science
- Computational Biology
- Pharmacology
Background:
- Drug delivery systems (DDSs) are crucial for targeted antibody release in disease treatment.
- Biodegradable polymer implants offer an alternative to frequent injections, reducing patient burden.
- Macular degeneration treatment involves painful, inconvenient intravitreal injections.
Purpose of the Study:
- To investigate antibody agent behavior and translocation through porous membranes.
- To develop a computational framework for analyzing drug release from DDSs.
- To understand the correlation between membrane properties and antibody release rates.
Main Methods:
- Utilized molecular dynamics simulations to model antibody movement.
- Employed graph theory to analyze porous membrane characteristics.
- Developed computational models to simulate drug release dynamics.
Main Results:
- Antibody release behavior is strongly linked to membrane pore network composition.
- Geometric features of the pore network significantly influence drug release rates.
- Computational models accurately predict antibody translocation through membranes.
Conclusions:
- Findings provide insights into designing effective long-term DDSs.
- The study paves the way for improved polymer-based drug delivery systems.
- Computational modeling is a valuable tool for optimizing DDS performance.
