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Identification of phenoxyacetamide derivatives as novel DOT1L inhibitors via docking screening and molecular dynamics simulation.
Luo, Minghao; Wang, Hui; Zou, Yi; Zhang, Shengping; Xiao, Jianhu; Jiang, Guangde; Zhang, Yihua; Lai, Yisheng.
Afiliación
  • Luo M; State Key Laboratory of Natural Medicines, Jiangsu Key Laboratory of Drug Discovery for Metabolic Diseases, Center of Drug Discovery, China Pharmaceutical University, Nanjing 210009, China.
  • Wang H; State Key Laboratory of Natural Medicines, Jiangsu Key Laboratory of Drug Discovery for Metabolic Diseases, Center of Drug Discovery, China Pharmaceutical University, Nanjing 210009, China.
  • Zou Y; State Key Laboratory of Natural Medicines, Jiangsu Key Laboratory of Drug Discovery for Metabolic Diseases, Center of Drug Discovery, China Pharmaceutical University, Nanjing 210009, China.
  • Zhang S; School of Chemical Sciences, The University of Auckland, 23 Symonds St., Auckland 1142, New Zealand.
  • Xiao J; State Key Laboratory of Natural Medicines, Jiangsu Key Laboratory of Drug Discovery for Metabolic Diseases, Center of Drug Discovery, China Pharmaceutical University, Nanjing 210009, China.
  • Jiang G; Department of Medicinal Chemistry, College of Pharmacy, University of Florida, 1345 Center Drive, Gainesville, FL 32610, USA.
  • Zhang Y; State Key Laboratory of Natural Medicines, Jiangsu Key Laboratory of Drug Discovery for Metabolic Diseases, Center of Drug Discovery, China Pharmaceutical University, Nanjing 210009, China.
  • Lai Y; State Key Laboratory of Natural Medicines, Jiangsu Key Laboratory of Drug Discovery for Metabolic Diseases, Center of Drug Discovery, China Pharmaceutical University, Nanjing 210009, China. Electronic address: yslai@cpu.edu.cn.
J Mol Graph Model ; 68: 128-139, 2016 07.
Article en En | MEDLINE | ID: mdl-27434826
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Inhibidores Enzimáticos / Simulación de Dinámica Molecular / Simulación del Acoplamiento Molecular / Acetamidas / Metiltransferasas Tipo de estudio: Diagnostic_studies / Prognostic_studies / Screening_studies Idioma: En Revista: J Mol Graph Model Asunto de la revista: BIOLOGIA MOLECULAR Año: 2016 Tipo del documento: Article País de afiliación: China
Texto completo
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Inhibidores Enzimáticos / Simulación de Dinámica Molecular / Simulación del Acoplamiento Molecular / Acetamidas / Metiltransferasas Tipo de estudio: Diagnostic_studies / Prognostic_studies / Screening_studies Idioma: En Revista: J Mol Graph Model Asunto de la revista: BIOLOGIA MOLECULAR Año: 2016 Tipo del documento: Article País de afiliación: China