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Insights into regioselective metabolism of mefenamic acid by cytochrome P450 BM3 mutants through crystallography, docking, molecular dynamics, and free energy calculations.
Capoferri, Luigi; Leth, Rasmus; ter Haar, Ernst; Mohanty, Arun K; Grootenhuis, Peter D J; Vottero, Eduardo; Commandeur, Jan N M; Vermeulen, Nico P E; Jørgensen, Flemming Steen; Olsen, Lars; Geerke, Daan P.
Afiliação
  • Capoferri L; AIMMS Division of Molecular Toxicology, Department of Chemistry and Pharmaceutical Sciences, VU University, De Boelelaan 1083, 1081 HV Amsterdam, the Netherlands.
  • Leth R; Department of Drug Design and Pharmacology, University of Copenhagen, Universitetsparken 2, DK-2100 Copenhagen, Denmark.
  • ter Haar E; Vertex Pharmaceuticals Incorporated, 50 Northern Avenue, Boston, MA, 02210.
  • Mohanty AK; Vertex Pharmaceuticals Incorporated, 50 Northern Avenue, Boston, MA, 02210.
  • Grootenhuis PD; Vertex Pharmaceuticals Incorporated, 11010 Torreyana Road, San Diego, CA, 92121.
  • Vottero E; AIMMS Division of Molecular Toxicology, Department of Chemistry and Pharmaceutical Sciences, VU University, De Boelelaan 1083, 1081 HV Amsterdam, the Netherlands.
  • Commandeur JN; AIMMS Division of Molecular Toxicology, Department of Chemistry and Pharmaceutical Sciences, VU University, De Boelelaan 1083, 1081 HV Amsterdam, the Netherlands.
  • Vermeulen NP; AIMMS Division of Molecular Toxicology, Department of Chemistry and Pharmaceutical Sciences, VU University, De Boelelaan 1083, 1081 HV Amsterdam, the Netherlands.
  • Jørgensen FS; Department of Drug Design and Pharmacology, University of Copenhagen, Universitetsparken 2, DK-2100 Copenhagen, Denmark.
  • Olsen L; Department of Drug Design and Pharmacology, University of Copenhagen, Universitetsparken 2, DK-2100 Copenhagen, Denmark.
  • Geerke DP; AIMMS Division of Molecular Toxicology, Department of Chemistry and Pharmaceutical Sciences, VU University, De Boelelaan 1083, 1081 HV Amsterdam, the Netherlands.
Proteins ; 84(3): 383-96, 2016 Mar.
Article em En | MEDLINE | ID: mdl-26757175

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Bacillus megaterium / Proteínas de Bactérias / Ácido Mefenâmico / Sistema Enzimático do Citocromo P-450 Tipo de estudo: Prognostic_studies Idioma: En Ano de publicação: 2016 Tipo de documento: Article

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Bacillus megaterium / Proteínas de Bactérias / Ácido Mefenâmico / Sistema Enzimático do Citocromo P-450 Tipo de estudo: Prognostic_studies Idioma: En Ano de publicação: 2016 Tipo de documento: Article