| RAPP, Lea R., Sérgio Manuel MARQUES, Bernd NEBEL, Jiří DAMBORSKÝ and Bernhard HAUER. Engineering CYP153A(M.aq) to Oxyfunctionalize its Inhibitor Dodecylamine Using a LC/MS Based Rapid Flow Analysis Screening. ChemCatChem. WEINHEIM: WILEY-V C H VERLAG GMBH, 2022, vol. 14, No 6, p. 1-5. ISSN 1867-3880. Available from: https://dx.doi.org/10.1002/cctc.202101648. |
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@article{2218244,
author = {Rapp, Lea R. and Marques, Sérgio Manuel and Nebel, Bernd and Damborský, Jiří and Hauer, Bernhard},
article_location = {WEINHEIM},
article_number = {6},
doi = {http://dx.doi.org/10.1002/cctc.202101648},
keywords = {biocatalysis; cytochrome P450; docking; enzyme engineering; molecular dynamics},
language = {eng},
issn = {1867-3880},
journal = {ChemCatChem},
title = {Engineering CYP153A(M.aq) to Oxyfunctionalize its Inhibitor Dodecylamine Using a LC/MS Based Rapid Flow Analysis Screening},
url = {https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/cctc.202101648},
volume = {14},
year = {2022}
}
TY - JOUR
ID - 2218244
AU - Rapp, Lea R. - Marques, Sérgio Manuel - Nebel, Bernd - Damborský, Jiří - Hauer, Bernhard
PY - 2022
TI - Engineering CYP153A(M.aq) to Oxyfunctionalize its Inhibitor Dodecylamine Using a LC/MS Based Rapid Flow Analysis Screening
JF - ChemCatChem
VL - 14
IS - 6
SP - 1-5
EP - 1-5
PB - WILEY-V C H VERLAG GMBH
SN - 18673880
KW - biocatalysis
KW - cytochrome P450
KW - docking
KW - enzyme engineering
KW - molecular dynamics
UR - https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/cctc.202101648
N2 - The catalytic space of the P450 monooxygenase CYP153A(M.aq) was opened from a terminal (omega-) fatty acid hydroxylase to a catalyst capable of performing omega-hydroxylation of dodecylamine, which is a potent inhibitor for the wild-type enzyme. A simple screening method named Rapid-flow Analysis of Product Peaks (RAPP) was established and applied to measure saturation libraries directly from a 96-deepwell plate in 36 seconds per sample. The obtained variants are less inhibited by the amine, although concurrently show less affinity towards the acid. Molecular modelling and molecular dynamics simulations showed significant effects of the mutations on the substrate tunnel architectures.
ER -
RAPP, Lea R., Sérgio Manuel MARQUES, Bernd NEBEL, Jiří DAMBORSKÝ and Bernhard HAUER. Engineering CYP153A(M.aq) to Oxyfunctionalize its Inhibitor Dodecylamine Using a LC/MS Based Rapid Flow Analysis Screening. \textit{ChemCatChem}. WEINHEIM: WILEY-V C H VERLAG GMBH, 2022, vol.~14, No~6, p.~1-5. ISSN~1867-3880. Available from: https://dx.doi.org/10.1002/cctc.202101648.
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