Sarıyer, Emrah2022-06-172022-06-172022Sarıyer, E. (2022). The role of Acinetobacter baumannii CarO outer membrane protein in carbapenems influx. Research in Microbiology, 103966.https://hdl.handle.net/11494/3866The gram-negative strain Acinetobacter baumannii is a cocobacillus, non-motile and aerobic organism that is often found in nosocomial infections. Many institutions worldwide such as WHO are grappling with antibiotic resistance Acinetobacter baumannii. Therefore, in recent years, there have been many studies in the literature about antibiotic resistance mechanisms. We studied the specificity of carbapenems for CarO, an outer membrane protein associated with Imipenem-resistance that was strongly related to a decrease in CarO expression level or changes in protein structure. The specificity of five different Carbapenems, Imipenem, Biapenem, Ertapenem, Faropenem, and Meropenem, against the Acinetobacter baumannii ATCC-17978 CarO protein, as well as the specificity of Imipenem for five different types Type-1, Type-2, Type-3, Type-4, and ATCC-17978 CarO protein, were investigated using computational methods. In this study, homology modelling, molecular docking, membrane-protein complex building, and 800 ns long MD simulation methods were followed. The interactions of imipenem with the extracellular region of five different forms of CarO protein were investigated in this study, as well as five different antibiotic binding profiles to the model organism ATCC-17978 CarO protein. The mechanism of CarO influx has been revealed with this study at the molecular level and this data is intended to be used in future research, mutagenesis, and clinical trials.eninfo:eu-repo/semantics/closedAccessAcinetobacter baumannii ATCC 17978CarOMolecular dynamics simulationsMolecular dockingArticle10.1016/j.resmic.2022.103966Q3Q3