Antimicrobial peptide induced colloidal transformations in bacteria-mimetic vesicles: Combining in silico tools and experimental methods

JOURNAL OF COLLOID AND INTERFACE SCIENCE

卷:596

Article

Freire, Rafael V. M.¹  Pillco-Valencia, Yeny²  da Hora, Gabriel C. A.^2,4  Ramstedt, Madeleine³  Sandblad, Linda³  Soares, Thereza A.²  Salentinig, Stefan¹ 

[1] Univ Fribourg, Dept Chem, Chemin Musee 9, CH-1700 Fribourg, Switzerland

[2] Univ Fed Pernambuco, Dept Fundamental Chem, Cidade Univ, BR-50740560 Recife, PE, Brazil

[3] Umea Univ, Umea Ctr Microbial Res, Dept Chem, SE-90187 Umea, Sweden

[4] Univ Utah, Dept Chem, Salt Lake City, UT 84112 USA

关键词: Vesicles;    Antimicrobial peptides;    POPG;    LL-37;    Self-assembly;    SAXS;    Cryo-TEM;    Coarse-grain molecular dynamics;    simulations;   

DOI  :  10.1016/j.jcis.2021.03.060

来源: Elsevier

【 摘 要 】

With the growing challenges of bacteria becoming resistant to conventional antibiotics, antimicrobial peptides (AMPs) may offer a potential alternative. One of the most studied AMPs, the human cathelicidin derived AMP LL-37 is notable for its antimicrobial activity even though its mechanism of action is not fully understood yet. This work investigates the interaction of LL-37 with 1-Palmitoyl-2-oleoyl-sn-glyc-ero-3-phospho-rac-(1-glycerol) (POPG) vesicles, which were employed as a bacterial membrane model given the common presence of this phospholipid in the bacterial membrane. Experimental techniques including small angle X-ray scattering, transmission electron microscopy and dynamic light scattering were used to characterize the interactions among LL-37 and POPG. Molecular dynamics simulations complement the experimental studies with molecular-level insights into the process. LL-37 was discovered to actively and critically interact with the POPG vesicles, modifying the membrane curvature that eventually leads to structural transformations from vesicles to mixed micelles. The results shed light on the mechanisms underlying the interactions among LL-37 and bacteria mimetic vesicles and can guide the further development of AMP based antimicrobial materials and therapies. (c) 2021 The Authors. Published by Elsevier Inc. This is an open access article under the CC BY license (http:// creativecommons.org/licenses/by/4.0/).

【 授权许可】

Free