Akademik Veri Yönetim Sistemi
MRS Advances, cilt.6, sa.28, ss.689-694, 2021 (ESCI, Scopus)
Abstract: Investigation of drug encapsulation behavior is important to design efficient drug delivery materials. With this aim, we strive to perform coarse-grained simulations to study the drug encapsulation behavior of a particular micelle-forming co-polymer composed of hydrophilic PEG and hydrophobic PLGA units. The study is performed at the mesoscopic scale to overcome the time scale problem associated with the micelle formation at the atomistic scale. The structure and drug loading properties are studied at different polymer concentrations and drug loading. The resulting micellar structures that are obtained via dissipative particle dynamics simulations are observed to encapsulate the drug with high efficiency values. Moreover, the DPD simulations performed in this work reveal physical insight on the interactions and molecular structure as well as the temporal evolution of the encapsulation process. Our work can be considered as an attempt to computationally characterize the drug encapsulation behavior and structure of a prospective drug delivery system. Graphic abstract: [Figure not available: see fulltext.]