DMS/NIGMS 2: Multiscale modeling of stimuli responsive drug delivery systems

About This Grant

Abstract: The objective of this project is to develop a novel modeling and simulation platform that addresses the crucial need for a quantitative understanding of micellar behavior as drug delivery systems. To achieve this, we will combine theoretical, computational, and experimental methods to create a new two-species constitutive model. This model will be capable of capturing the complex interplay between micellar structure and rheological behavior under various physiological conditions, including changes in pH and flow fields. The platform will leverage advanced numerical algorithms to simulate the dynamic evolution of micellar structures and their impact on macroscopic properties. By doing so, it will enable accurate predictions of drug release kinetics and other critical phenomena. To ensure the reliability of our platform, we will rigorously validate its results with experimental data. Ultimately, this platform will serve as a crucial asset for the development and refinement of micellar-based drug delivery systems. By providing accurate predictions and insights, it will expedite the creation of more effective and targeted therapies. This research project aims to address a significant challenge in the field of drug delivery by developing a novel modeling and simulation platform capable of accurately predicting the behavior of micellar systems under physiological conditions. Micelles, as versatile nanocarriers, offer immense potential for revolutionizing drug delivery by overcoming limitations associated with traditional therapies. However, our limited understanding of their complex interactions with external stimuli and their rheological properties hinders the development of effective micellar-based drug delivery systems. The proposed platform will provide a robust framework for simulating micellar behavior under diverse physiological conditions, such as pH and flow fields. By developing a new constitutive model that accounts for these factors, this research will contribute to a more comprehensive understanding of micellar behavior in complex environments. The platform will also enable simulations that mimic the drug delivery process, providing valuable insights into the viability of micelles for cancer treatment and other applications.