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

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 and strains. The predictive accuracy of regression models has coefficient of determination q = 0.66 - 0.79 with cross-validation and inde...

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Veröffentlicht in:	International journal of molecular sciences 2021-01, Vol.22 (2), p.563
Hauptverfasser:	Semenyuta, Ivan V, Trush, Maria M, Kovalishyn, Vasyl V, Rogalsky, Sergiy P, Hodyna, Diana M, Karpov, Pavel, Xia, Zhonghua, Tetko, Igor V, Metelytsia, Larisa O
Format:	Artikel
Sprache:	eng
Schlagworte:	Acinetobacter baumannii Acinetobacter baumannii - drug effects Acinetobacter baumannii - pathogenicity Algorithms Antimicrobial agents Bacterial Infections - drug therapy Bacterial Infections - microbiology Biosynthesis Clinical isolates Datasets Drug resistance Drug Resistance, Multiple Enzymes Fatty acids Humans Imidazoles - chemical synthesis Imidazoles - chemistry Ionic liquids Ionic Liquids - chemical synthesis Ionic Liquids - chemistry Model accuracy Multidrug resistance Pathogens Pyridines - chemical synthesis Pyridines - chemistry Regression analysis Staphylococcus aureus Staphylococcus aureus - drug effects Staphylococcus aureus - pathogenicity Structure-Activity Relationship Structure-activity relationships
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