104-74-5Relevant articles and documents
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.
, p. 1 - 15 (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.
Synthesis, spectroscopic and molecular docking studies of imidazolium and pyridinium based ionic liquids with HSA as potential antimicrobial agents
Trush, Maria M.,Semenyuta, Ivan V.,Vdovenko, Sergey I.,Rogalsky, Sergiy P.,Lobko, Evgeniya O.,Metelytsia, Larisa O.
, p. 692 - 699 (2017)
The interaction between human serum albumin (HSA) and synthesized imidazolium and pyridinium based ionic liquids (ILs), as good potential microbial growth inhibitors, was investigated by spectroscopic techniques combined with molecular docking analysis. All compounds were significant active against the tested bacterial and fungal strains. FT-IR spectroscopy indicated that the interaction of HSA with ILs generates considerable changes in protein secondary structure. The results of the molecular docking study showed that the studied ILs are able to firmly bind in the subdomain IIA of HSA with almost equal binding affinity (about ?6.23 kcal/mol). Investigated HSA–ILs complex binds through hydrogen bonding or/and cation-π interactions. This study provides a better understanding of the binding of imidazolium and pyridinium based ILs to HSA and opens the way for their further biological and pharmaceutical investigations as candidates with antimicrobial properties.
-
Karrer et al.
, p. 223,230 (1938)
-
One-pot synthesis of cationic amphiphiles from n-alcohols and allyl alcohols
Narender, Tadigoppula,Madhur, Gaurav,Dharamsheela,Reddy, K. Papi,Sarkar,Sarkar,Tripathi
, p. 1687 - 1692 (2011/09/14)
A novel, efficient one-pot method has been developed to synthesize amphiphiles such as N-alkylated/N-allylated triethyl-amines and pyridinium salts for the first time from n-alcohols and naturally occurring terpenes (allyl alcohols) in good yields. These amphiphiles have got industrial application as surfactants, DNA carriers, and other biological applications. The DNA delivery efficacy and cytotoxicity of N-alkylated and N-allylated triethylamine and pyridinium salts were studied. Georg Thieme Verlag Stuttgart · New York.
