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 - 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. (International journal of molecular sciences, 2021)
Keywords: Acinetobacter baumannii - drug effects; Acinetobacter baumannii - pathogenicity; Algorithms; Antimicrobial agents; Bacterial Infections - drug therapy; Bacterial Infections - microbiology; Biosynthesis; Datasets; Drug Resistance, Multiple; Enzymes; Fatty acids; Humans; Imidazoles - chemical synthesis; Imidazoles - chemistry; Ionic Liquids - chemical synthesis; Ionic Liquids - chemistry; Pathogens; Pyridines - chemical synthesis; Pyridines - chemistry; Staphylococcus aureus - drug effects; Staphylococcus aureus - pathogenicity; Structure-Activity Relationship; Acinetobacter baumannii; FabI; OCHEM; guanidinium; QSAR; pyridinium; Structure-Activity modeling; imidazolium; ionic liquids (ILs); Staphylococcus aureus; enoyl-ACP reductase