Show simple item record

dc.contributor.authorGuzmán-Jofre, Luis
dc.contributor.authorParra-Cid, Cristóbal
dc.contributor.authorGuerrero-Muñoz, Etiennette
dc.contributor.authorPeña-Varas, Carlos
dc.contributor.authorPolo-Cuadrado, Efraín
dc.contributor.authorDuarte, Yorley
dc.contributor.authorCastro, Ricardo I.
dc.contributor.authorNerio, Luz Stella
dc.contributor.authorAraya-Maturana, Ramiro
dc.contributor.authorAssefa, Tewodros
dc.contributor.authorEcheverría, Javier
dc.contributor.authorRamírez, David
dc.date.accessioned2021-09-10T01:42:45Z
dc.date.available2021-09-10T01:42:45Z
dc.date.issued2021-10
dc.identifier10.1016/j.bioorg.2021.105289
dc.identifier.issn00452068
dc.identifier.urihttps://hdl.handle.net/20.500.12728/9506
dc.description.abstractBacterial infections are nowadays among the major threats to public health worldwide. Thus, there is an urgent and increased need for new antimicrobial agents. As a result, the exploration of the antimicrobial properties of different substances including ionic liquids (ILs) has recently attracted great attention. The present work is aimed at evaluating how the addition of halogens and hydrophobic substituents on alkylimidazolium units of ILs as well as the increase in their chain lengths affects the antimicrobial properties of such ILs. After their synthesis, the antibacterial activities of these compounds against Pseudomona aeruginosa, Escherichia coli, and Staphylococcus aureus are determined by measuring their minimal inhibitory concentrations (MICs). Key features in ILs-membrane interactions are also studied using long-term all-atom molecular dynamics simulations (MDs). The results show that these ILs have good antibacterial activity against S. aureus, E. coli, and P. aeruginosa, with MIC values range from <7.81 to 62.50 μM. The antimicrobial property of tert-butyl N-methylphenolimidazolium salts (denoted as 8b and 8c) is particularly better with MIC values of < 7.81 μM. The antibacterial efficacy is also found to depend on the alkyl chain length and substituents on the phenolic ring. Finally, MDs done for ILs in a phosphatidylcholine (POPC) bilayer show key features in the mechanism of IL-induced membrane disruption, where the ILs are inserted as clusters into one side of the bilayer until saturation is reached. This insertion increases “leaflet strain” up to critical threshold, likely triggering the morphological disruption of the membranes in the microbes.es_ES
dc.language.isoenes_ES
dc.publisherAcademic Press Inc.es_ES
dc.subjectAlkylimidazolium ionic liquidses_ES
dc.subjectAntimicrobial agentses_ES
dc.subjectDrug designes_ES
dc.subjectNosocomial infectiones_ES
dc.subjectPhenolses_ES
dc.titleAntimicrobial properties of novel ionic liquids derived from imidazolium cation with phenolic functional groupses_ES
dc.typeArticlees_ES


Files in this item

Thumbnail

This item appears in the following Collection(s)

Show simple item record