Part:BBa_K4685014:Experience

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iGEM Team REC-CHENNAI 2024 (Contribution)

Group: TEAM REC-CHENNAI 2024. Authors: Maline.M, Rhea Harry William. We came across the iGEM team UNILausanne 2023 - Plastic Busters, whose project closely aligns with ours. We have tried to add another layer to their work on polyethylene specific peptide sequence (BBa_K4685014). We have developed polyethylene microplastic containing 18 chains and chain length 160 monomers which is energy minimized. The interaction of this microplastic with the microplastic binding peptide represented by the part BBa_K4685014 was further simulated in GROMACS, enhancing understanding and approach to the project.

Fig.1: Energy minimised coarse grained peptides and polymer within a simulation box.

Fig.2: MD simulated coarse grain peptide - polymer model.

Fig.3: Analysis of interactions between peptide - polymer model.

References

Vismara A, Gautieri A. Molecular insights into nanoplastics-peptides binding and their interactions with the lipid membrane. Biophys Chem. 2024 May;308:107213. doi: 10.1016/j.bpc.2024.107213.

Gabbrielli S, Colnaghi L, Mazzuoli-Weber G, Redaelli ACL, Gautieri A. In Silico Analysis of Nanoplastics' and β-amyloid Fibrils' Interactions. Molecules. 2023 Jan 2;28(1):388. doi: 10.3390/molecules28010388.

Panizon E, Bochicchio D, Monticelli L, Rossi G. MARTINI Coarse-Grained Models of Polyethylene and Polypropylene. J Phys Chem B. 2015 Jun 25;119(25):8209-16. doi: 10.1021/acs.jpcb.5b03611.

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