Investigating the selectivity of potential new inhibitors of dihydrofolate reductase from Yersinia pestis designed by molecular modeling

J Biomol Struct Dyn. 2019 Mar;37(5):1170-1176. doi: 10.1080/07391102.2018.1452796. Epub 2018 Mar 24.

¹ a Laboratory of Molecular Modeling Applied to the Chemical and Biological Defense (LMCBD) , Military Institute of Engieering , Rio de Janeiro 22290-270 , RJ , Brazil.
² b Department of Chemistry , Pontifical Catholic University of Rio de Janeiro , Rio de Janeiro 22453-900 , RJ , Brazil.
³ c Department of Chemistry & Biochemistry , Concordia University , Montreal , QC , Canada.
⁴ d Faculty of Technology, Department of Mathematics, Physics and Computation , University of the State of Rio de Janeiro , Resende , RJ , Brazil.
⁵ e Chemistry Institute, Federal University of Rio de Janeiro , Rio de Janeiro 21941-909 , RJ , Brazil.
⁶ f Faculty of Informatics and Management, Center for Basic and Applied Research , University of Hradec Kralove , Hradec Kralove , Czech Republic.

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