QSAR-driven design, synthesis and discovery of potent chalcone derivatives with antitubercular activity.

导出 OA

翻译打印收藏纠错

作者： Marcelo N,Gomes ^[1] ; Rodolpho C,Braga ^[1] ; Edyta M,Grzelak ^[2] ; Bruno J,Neves ^[3] ; Eugene,Muratov ^[4] ; Rui,Ma ^[2] ; Larry L,Klein ^[2] ; Sanghyun,Cho ^[2] ; Guilherme R,Oliveira ^[5] ; Scott G,Franzblau ^[6] ; Carolina Horta,Andrade ^[7]

作者单位： LabMol - Laboratory for Molecular Modeling and Drug Design, Faculdade de Farmácia, Universidade Federal de Goiás, Rua 240, Qd.87, Setor Leste Universitário, Goiânia, Goiás 74605-510, Brazil. ^[1] Institute for Tuberculosis Research, University of Illinois at Chicago, 833 South Wood Street, Chicago, IL 60612, United States. ^[2] LabMol - Laboratory for Molecular Modeling and Drug Design, Faculdade de Farmácia, Universidade Federal de Goiás, Rua 240, Qd.87, Setor Leste Universitário, Goiânia, Goiás 74605-510, Brazil; Postgraduate Program of Society, Technology and Environment, University Center of Anápolis/UniEVANGELICA, Anápolis, Goiás, 75083-515, Brazil. ^[3] Laboratory for Molecular Modeling, Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC 27955-7568, United States; Department of Chemical Technology, Odessa National Polytechnic University, Odessa, 65000, Ukraine. ^[4] Chemistry Institute, Universidade Federal de Goiás, Goiania, Brazil. ^[5] Institute for Tuberculosis Research, University of Illinois at Chicago, 833 South Wood Street, Chicago, IL 60612, United States. Electronic address: sgf@uic.edu. ^[6] LabMol - Laboratory for Molecular Modeling and Drug Design, Faculdade de Farmácia, Universidade Federal de Goiás, Rua 240, Qd.87, Setor Leste Universitário, Goiânia, Goiás 74605-510, Brazil. Electronic address: carolina@ufg.br. ^[7]

关键词 Anti-TB agents Chalcone In silico design Nitroaromatic compounds QSAR Tuberculosis