Journal
LANGMUIR
Volume 37, Issue 30, Pages 9244-9252Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.langmuir.1c01434
Keywords
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Funding
- National Natural Science Foundation of China [51873015]
- Joint Project of BRC-BC (Biomedical Translational Engineering Research Center of BUCT-CJFH) [XK2020-05, RZ2020-01]
- Ministry of Finance
- Ministry of Education of PRC
- high-performance computing platform of BUCT
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Microneedle technology shows promise as an effective drug delivery method for insulin in diabetes treatment, offering advantages such as high efficiency, easy management, and minimal infection risk. Studying the structural stability and diffusion coefficient of insulin in various polymer solutions has revealed different diffusion mechanisms and provided theoretical guidance for preparing insulin-loaded dissolvable microneedles.
Microneedle (MN) technology has been proven to be promising to become an effective drug delivery route of insulin for diabetes treatment, with the advantages of high delivery efficiency, convenient management, and minimal risk of infection. However, efforts are still required to verify the insulin activity in MNs for further clinical application. Moreover, it is also essential to study the diffusion properties of insulin to understand the ability of various MN materials to control insulin release. Herein, we have combined all-atom molecular dynamics simulation and coarse-grained dissipative particle dynamics to systematically study insulin's structural stability and diffusion coefficient in polyvinyl alcohol and hyaluronic acid solutions. The all-atom simulation reveals the dissimilarities in the interaction mode between insulin and the two polymers. It also points out that the presence of the two polymers would not irreversibly impact the secondary structure of insulin, thereby ensuring regular insulin expression in vivo. Mesoscopic simulation results manifest that the diffusion coefficient of insulin in hyaluronic acid (HA) solution is greater than that of the polyvinyl alcohol (PVA) system. Meanwhile, through the study of insulin centroid trajectory, we have claimed two different diffusion mechanisms of insulin in polymer solution: The movement of insulin in the HA and water solution follows the Brownian motion rule. In comparison, the hopping effect of insulin has been observed in the PVA solution due to poor intermolecular affinity as well as lower polymer water solubility. By summarizing different diffusion mechanisms, this study can provide theoretical guidance for preparing insulin-loaded dissolvable MNs.
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