Insights into regioselective metabolism of mefenamic acid by cytochrome P 450 BM 3 mutants through crystallography, docking, molecular dynamics, and free energy calculations

Cytochrome P450 BM3 (CYP102A1) mutant M11 is able to metabolize a wide range of drugs and drug‐like compounds. Among these, M11 was recently found to be able to catalyze formation of human metabolites of mefenamic acid and other nonsteroidal anti‐inflammatory drugs (NSAIDs). Interestingly, single ac...

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Veröffentlicht in:	Proteins, structure, function, and bioinformatics structure, function, and bioinformatics, 2016-03, Vol.84 (3), p.383-396
Hauptverfasser:	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.
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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