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Scaffold-based novel SHP2 allosteric inhibitors design using Receptor-Ligand pharmacophore model, virtual screening and molecular dynamics.
Jin, Wen-Yan; Ma, Ying; Li, Wei-Ya; Li, Hong-Lian; Wang, Run-Ling.
Afiliación
  • Jin WY; Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics (Theranostics), School of Pharmacy, Tianjin Medical University, Tianjin, China.
  • Ma Y; Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics (Theranostics), School of Pharmacy, Tianjin Medical University, Tianjin, China.
  • Li WY; Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics (Theranostics), School of Pharmacy, Tianjin Medical University, Tianjin, China.
  • Li HL; Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics (Theranostics), School of Pharmacy, Tianjin Medical University, Tianjin, China.
  • Wang RL; Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics (Theranostics), School of Pharmacy, Tianjin Medical University, Tianjin, China. Electronic address: maying@tmu.edu.cn.
Comput Biol Chem ; 73: 179-188, 2018 Apr.
Article en En | MEDLINE | ID: mdl-29494926

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Piperidinas / Pirimidinas / Diseño de Fármacos / Inhibidores Enzimáticos / Proteína Tirosina Fosfatasa no Receptora Tipo 11 / Simulación de Dinámica Molecular Tipo de estudio: Diagnostic_studies / Screening_studies Límite: Humans Idioma: En Revista: Comput Biol Chem Asunto de la revista: BIOLOGIA / INFORMATICA MEDICA / QUIMICA Año: 2018 Tipo del documento: Article País de afiliación: China Pais de publicación: Reino Unido

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Piperidinas / Pirimidinas / Diseño de Fármacos / Inhibidores Enzimáticos / Proteína Tirosina Fosfatasa no Receptora Tipo 11 / Simulación de Dinámica Molecular Tipo de estudio: Diagnostic_studies / Screening_studies Límite: Humans Idioma: En Revista: Comput Biol Chem Asunto de la revista: BIOLOGIA / INFORMATICA MEDICA / QUIMICA Año: 2018 Tipo del documento: Article País de afiliación: China Pais de publicación: Reino Unido