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In Silico Evaluation of Microplastics Interactions for Storage of a Multi-Epitope Vaccine Candidate
Summary
Researchers used computer simulations to test whether tiny plastic particles (called microplastics) could leak out of plastic vaccine bottles and damage vaccines or harm your body. They found that one type of plastic, called PCP, was less likely to stick to vaccines than other plastics, suggesting it might be safer for storing vaccines. This matters because finding the best plastic containers could help keep vaccines effective and protect people from potential harm caused by plastic contamination.
The increasing prevalence of multidrug-resistant disease has addressed an urgent requirement for early prophylactic therapies like a vaccine. Their therapeutic efficacy entirely depends on the supply chain & storage parameters. Conventional vaccine formulations have mainly used glass vials, while polymer-based packaging offers reduced package volume, weight and price per dose. But the emergence of microplastics (1-10 μm) as leachable from those polymeric containers may destabilize the vaccine product and toxify the human CYP1A1 protein. Leaching may also occur under different storage temperature conditions. For this, all-atom molecular dynamics simulation on the multi-epitope vaccine was conducted under the OPLS-AA force field, NaCl-neutralized SPC water model, 1atm pressure, and varying storage temperatures. These systems were energy-minimized and equilibrated under constant NVT and NPT conditions for 100 ps, followed by a 10 ns production simulation. Blind & flexible docking of the simulated vaccine snapshots with monomeric polymer structures (i.e., PET, PU, PMMA, PVC, PS, PE, PCP) yielded insights into polymer-vaccine interactions. Initially, both docking methods yielded PCP, a non-biodegradable polymer as weakest binder. Thus, the current investigation may serve as a basis for further studies to validate the suitability of PCP derived vials for vaccine storage.