Home
Deutsch
Advanced Search
Browse by ...
Publication overview
Contact persons
Help
Publ. Version/Full Text
Research data
DOI
PMC
 |
Open Access Gold |
|
as soon as is submitted to ZB.
Structure-activity relationship modeling and experimental validation of the imidazolium and pyridinium based ionic liquids as potential antibacterials of mdr Acinetobacter baumannii and Staphylococcus aureus.
Int. J. Mol. Sci. 22:563 (2021)
Online Chemical Modeling Environment (OCHEM) was used for QSAR analysis of a set of ionic liquids (ILs) tested against multi-drug resistant (MDR) clinical isolate Acinetobacter baumannii and Staphylococcus aureus strains. The predictive accuracy of regression models has coefficient of determination q2 = 0.66 − 0.79 with cross-validation and independent test sets. The models were used to screen a virtual chemical library of ILs, which was designed with targeted activity against MDR Acinetobacter baumannii and Staphylococcus aureus strains. Seven most promising ILs were selected, synthesized, and tested. Three ILs showed high activity against both these MDR clinical isolates.
Altmetric
Additional Metrics?
Edit extra informations
Login
Publication type
Article: Journal article
Document type
Scientific Article
Keywords
Acinetobacter Baumannii ; Enoyl-acp Reductase ; Fabi ; Guanidinium ; Imidazolium ; Ionic Liquids (ils) ; Ochem ; Pyridinium ; Qsar ; Staphylococcus Aureus ; Structure-activity Modeling
ISSN (print) / ISBN
1422-0067
e-ISSN
1661-6596
Quellenangaben
Volume: 22,
Issue: 2,
Article Number: 563
Publisher
MDPI
Publishing Place
Basel
Non-patent literature
Publications
Reviewing status
Peer reviewed
Institute(s)
Institute of Structural Biology (STB)
Grants
Bundesministerium für Bildung, Wissenschaft und Forschung
China Scholarship Council (CSC)
German Federal Ministry for education and research (BMBF)
Bundesministerium für Bildung, Wissenschaft und Forschung
China Scholarship Council (CSC)
German Federal Ministry for education and research (BMBF)