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Discovery, molecular dynamic simulation and biological evaluation of structurally diverse cholinesterase inhibitors with new scaffold through shape-based pharmacophore virtual screening.
Yang, Hongyu; Du, Chenxi; Li, Qihang; Chen, Tingkai; Lu, Xin; Li, Qi; Feng, Feng; Chen, Yao; Liu, Wenyuan; Sun, Haopeng.
Afiliación
  • Yang H; Department of Medicinal Chemistry, School of Pharmacy, China Pharmaceutical University, Nanjing 211198, People's Republic of China.
  • Du C; Department of Medicinal Chemistry, School of Pharmacy, China Pharmaceutical University, Nanjing 211198, People's Republic of China.
  • Li Q; Department of Medicinal Chemistry, School of Pharmacy, China Pharmaceutical University, Nanjing 211198, People's Republic of China.
  • Chen T; Department of Medicinal Chemistry, School of Pharmacy, China Pharmaceutical University, Nanjing 211198, People's Republic of China.
  • Lu X; Department of Medicinal Chemistry, School of Pharmacy, China Pharmaceutical University, Nanjing 211198, People's Republic of China.
  • Li Q; Department of Medicinal Chemistry, School of Pharmacy, China Pharmaceutical University, Nanjing 211198, People's Republic of China.
  • Feng F; Jiangsu Food and Pharmaceutical Science College, Huaian 223003, People's Republic of China.
  • Chen Y; School of Pharmacy, Nanjing University of Chinese Medicine, Nanjing 210023, People's Republic of China.
  • Liu W; Department of Analytical Chemistry, China Pharmaceutical University, Nanjing 210009, People's Republic of China.
  • Sun H; Department of Medicinal Chemistry, School of Pharmacy, China Pharmaceutical University, Nanjing 211198, People's Republic of China; Jiangsu Food and Pharmaceutical Science College, Huaian 223003, People's Republic of China. Electronic address: sunhaopeng@163.com.
Bioorg Chem ; 92: 103294, 2019 11.
Article en En | MEDLINE | ID: mdl-31557623
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Texto completo: 1 Base de datos: MEDLINE Asunto principal: Acetilcolinesterasa / Butirilcolinesterasa / Inhibidores de la Colinesterasa / Descubrimiento de Drogas / Simulación de Dinámica Molecular Tipo de estudio: Diagnostic_studies / Screening_studies Idioma: En Revista: Bioorg Chem Año: 2019 Tipo del documento: Article
Texto completo
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Texto completo: 1 Base de datos: MEDLINE Asunto principal: Acetilcolinesterasa / Butirilcolinesterasa / Inhibidores de la Colinesterasa / Descubrimiento de Drogas / Simulación de Dinámica Molecular Tipo de estudio: Diagnostic_studies / Screening_studies Idioma: En Revista: Bioorg Chem Año: 2019 Tipo del documento: Article