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Investigating the selectivity of potential new inhibitors of dihydrofolate reductase from Yersinia pestis designed by molecular modeling.
Bastos, Leonardo da Costa; de Souza, Felipe Rodrigues; Pereira Souza, Lucas Miguel; Forgione, Pat; Cuya, Teobaldo; de Alencastro, Ricardo Bicca; Pimentel, Andre Silva; Celmar Costa França, Tanos.
Affiliation
  • Bastos LDC; a Laboratory of Molecular Modeling Applied to the Chemical and Biological Defense (LMCBD) , Military Institute of Engieering , Rio de Janeiro 22290-270 , RJ , Brazil.
  • de Souza FR; a Laboratory of Molecular Modeling Applied to the Chemical and Biological Defense (LMCBD) , Military Institute of Engieering , Rio de Janeiro 22290-270 , RJ , Brazil.
  • Pereira Souza LM; b Department of Chemistry , Pontifical Catholic University of Rio de Janeiro , Rio de Janeiro 22453-900 , RJ , Brazil.
  • Forgione P; c Department of Chemistry & Biochemistry , Concordia University , Montreal , QC , Canada.
  • Cuya T; d Faculty of Technology, Department of Mathematics, Physics and Computation , University of the State of Rio de Janeiro , Resende , RJ , Brazil.
  • de Alencastro RB; e Chemistry Institute, Federal University of Rio de Janeiro , Rio de Janeiro 21941-909 , RJ , Brazil.
  • Pimentel AS; b Department of Chemistry , Pontifical Catholic University of Rio de Janeiro , Rio de Janeiro 22453-900 , RJ , Brazil.
  • Celmar Costa França T; a Laboratory of Molecular Modeling Applied to the Chemical and Biological Defense (LMCBD) , Military Institute of Engieering , Rio de Janeiro 22290-270 , RJ , Brazil.
J Biomol Struct Dyn ; 37(5): 1170-1176, 2019 03.
Article in En | MEDLINE | ID: mdl-29542379
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Tetrahydrofolate Dehydrogenase / Yersinia pestis / Models, Molecular / Folic Acid Antagonists Language: En Journal: J Biomol Struct Dyn Year: 2019 Document type: Article Affiliation country: Brazil Country of publication: United kingdom
Fulltext
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Tetrahydrofolate Dehydrogenase / Yersinia pestis / Models, Molecular / Folic Acid Antagonists Language: En Journal: J Biomol Struct Dyn Year: 2019 Document type: Article Affiliation country: Brazil Country of publication: United kingdom