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Oligomer Dynamics of LL-37 Truncated Fragments Probed by α-Hemolysin Pore and Molecular Simulations
Stockholms universitet, Naturvetenskapliga fakulteten, Institutionen för biokemi och biofysik.ORCID-id: 0000-0003-0905-7911
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Rekke forfattare: 82023 (engelsk)Inngår i: Small, ISSN 1613-6810, E-ISSN 1613-6829, Vol. 19, nr 37, artikkel-id 2206232Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

Oligomerization of antimicrobial peptides (AMPs) is critical in their effects on pathogens. LL-37 and its truncated fragments are widely investigated regarding their structures, antimicrobial activities, and application, such as developing new antibiotics. Due to the small size and weak intermolecular interactions of LL-37 fragments, it is still elusive to establish the relationship between oligomeric states and antimicrobial activities. Here, an α-hemolysin nanopore, mass spectrometry (MS), and molecular dynamic (MD) simulations are used to characterize the oligomeric states of two LL-37 fragments. Nanopore studies provide evidence of trapping events related to the oligomer formation and provide further details on their stabilities, which are confirmed by MS and MD simulations. Furthermore, simulation results reveal the molecular basis of oligomer dynamics and states of LL-37 fragments. This work provides unique insights into the relationship between the oligomer dynamics of AMPs and their antimicrobial activities at the single-molecule level. The study demonstrates how integrating methods allows deciphering single molecule level understanding from nanopore sensing approaches. 

sted, utgiver, år, opplag, sider
2023. Vol. 19, nr 37, artikkel-id 2206232
Emneord [en]
dynamics, LL-37 fragments, nanopores, oligomers
HSV kategori
Identifikatorer
URN: urn:nbn:se:su:diva-220214DOI: 10.1002/smll.202206232ISI: 000986112000001PubMedID: 37170734Scopus ID: 2-s2.0-85159128314OAI: oai:DiVA.org:su-220214DiVA, id: diva2:1791383
Tilgjengelig fra: 2023-08-25 Laget: 2023-08-25 Sist oppdatert: 2023-10-12bibliografisk kontrollert

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Österlund, NicklasGräslund, Rut Astrid Olivia

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