Exploring the interaction of N-(benzothiazol-2-yl)pyrrolamide DNA gyrase inhibitors with the GyrB ATP-binding site lipophilic floor: A medicinal chemistry and QTAIM study.

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第一作者： Nace,Zidar

第一单位： University of Ljubljana, Faculty of Pharmacy, Aškerčeva cesta 7, 1000 Ljubljana, Slovenia.

作者： Nace,Zidar ^[1] ; Andrej,Emanuel Cotman ^[1] ; Wessel,Sinnige ^[2] ; Ondrej,Benek ^[1] ; Michaela,Barančokova ^[1] ; Anamarija,Zega ^[1] ; Lucija,Peterlin Mašič ^[1] ; Tihomir,Tomašič ^[1] ; Janez,Ilaš ^[1] ; Sara R,Henderson ^[3] ; Julia E A,Mundy ^[3] ; Anthony,Maxwell ^[3] ; Clare E M,Stevenson ^[3] ; David M,Lawson ^[3] ; Geert,Jan Sterk ^[4] ; Rodrigo,Tosso ^[5] ; Lucas,Gutierrez ^[5] ; Ricardo D,Enriz ^[6] ; Danijel,Kikelj ^[7]

作者单位： University of Ljubljana, Faculty of Pharmacy, Aškerčeva cesta 7, 1000 Ljubljana, Slovenia. ^[1] University of Ljubljana, Faculty of Pharmacy, Aškerčeva cesta 7, 1000 Ljubljana, Slovenia; Vrije Universiteit Amsterdam, Medicinal Chemistry Division, De Boelelaan 1108, 1081 HZ Amsterdam, the Netherlands. ^[2] Department of Biochemistry and Metabolism, John Innes Centre, Norwich Research Park, Norwich NR4 7UH, UK. ^[3] Vrije Universiteit Amsterdam, Medicinal Chemistry Division, De Boelelaan 1108, 1081 HZ Amsterdam, the Netherlands. ^[4] Facultad de Química, Bioquímica y Farmacia, Universidad Nacional de San Luis, Instituto Multidisciplinario de Investigaciones Biológicas (IMIBIO-SL), Ejercito de los Andes 950, 5700 San Luis, Argentina. ^[5] Facultad de Química, Bioquímica y Farmacia, Universidad Nacional de San Luis, Instituto Multidisciplinario de Investigaciones Biológicas (IMIBIO-SL), Ejercito de los Andes 950, 5700 San Luis, Argentina. Electronic address: danielenriz@gmail.com. ^[6] University of Ljubljana, Faculty of Pharmacy, Aškerčeva cesta 7, 1000 Ljubljana, Slovenia. Electronic address: danijel.kikelj@ffa.uni-lj.si. ^[7]

关键词 ATP-binding site Antibacterial agent DNA gyrase Inhibitor N-(benzothiazol-2-yl)pyrrolamide QTAIM analysis