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Repurposing Drugs for Inhibition against ALDH2 via a 2D/3D Ligand-Based Similarity Search and Molecular Simulation.
Jiang, Wanyun; Chen, Junzhao; Zhang, Puyu; Zheng, Nannan; Ma, Le; Zhang, Yongguang; Zhang, Haiyang.
Afiliação
  • Jiang W; Department of Biological Science and Engineering, School of Chemistry and Biological Engineering, University of Science and Technology Beijing, Beijing100083, China.
  • Chen J; Department of Biological Science and Engineering, School of Chemistry and Biological Engineering, University of Science and Technology Beijing, Beijing100083, China.
  • Zhang P; Department of Biological Science and Engineering, School of Chemistry and Biological Engineering, University of Science and Technology Beijing, Beijing100083, China.
  • Zheng N; Department of Biological Science and Engineering, School of Chemistry and Biological Engineering, University of Science and Technology Beijing, Beijing100083, China.
  • Ma L; Department of Biological Science and Engineering, School of Chemistry and Biological Engineering, University of Science and Technology Beijing, Beijing100083, China.
  • Zhang Y; Department of Biological Science and Engineering, School of Chemistry and Biological Engineering, University of Science and Technology Beijing, Beijing100083, China.
  • Zhang H; Department of Biological Science and Engineering, School of Chemistry and Biological Engineering, University of Science and Technology Beijing, Beijing100083, China.
Molecules ; 28(21)2023 Oct 29.
Article em En | MEDLINE | ID: mdl-37959744
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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Simulação de Dinâmica Molecular / Reposicionamento de Medicamentos Idioma: En Ano de publicação: 2023 Tipo de documento: Article
Texto completo
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PubMed Links
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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Simulação de Dinâmica Molecular / Reposicionamento de Medicamentos Idioma: En Ano de publicação: 2023 Tipo de documento: Article