Listar por autoría "0c87d16f-161a-4324-b798-b5dfb4e10e75"
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Combined Theoretical and Experimental Study to Unravel the Differences in Promiscuous Amidase Activity of Two Nonhomologous Enzymes
Galmés, Miquel À; Nödling, Alexander; Luk, Louis Y. P.; Świderek, Katarzyna; Moliner, Vicent American Chemical Society (2021-07-16)Convergent evolution has resulted in nonhomologous enzymes that contain similar active sites that catalyze the same primary and secondary reactions. Comparing how these enzymes achieve their reaction promiscuity can yield ... -
Reaction Mechanism of Organocatalytic Michael Addition of Nitromethane to Cinnamaldehyde: A Case Study on Catalyst Regeneration and Solvent Effects
Świderek, Katarzyna; Nödling, Alexander; Tsai, Yu-Hsuan; Luk, Louis Y. P.; Moliner, Vicent American Chemical Society (2017-12)The Michael addition of nitromethane to cinnamaldehyde has been computationally studied in the absence of a catalyst and the presence of a biotinylated secondary amine by a combined computational and experimental approach. ... -
Reactivity and Selectivity of Iminium Organocatalysis Improved by a Protein Host
Nödling, Alexander; Świderek, Katarzyna; Castillo, Raquel; Hall, Jonathan W.; Angelastro, Antonio; Morrill, Louis; Tsai, Yu-Hsuan; Moliner, Vicent; Luk, Louis Y. P. Wiley (2018-09-17)There has been growing interest in performing organocatalysis within a supramolecular system as a means of controlling reaction reactivity and stereoselectivity. Here, a protein is used as a host for iminium catalysis. A ... -
The role of streptavidin and its variants in catalysis by biotinylated secondary amines
Nödling, Alexander; Santi, Nicolò; Castillo, Raquel; Lipka-Lloyd, Magdalena; Jin, Yi; Morrill, Louis; Świderek, Katarzyna; Moliner, Vicent; Luk, Louis Yu Pan Royal Society of Chemistry (2021-11-15)Here, we combine the use of host screening, protein crystallography and QM/MM molecular dynamics simulations to investigate how the protein structure affects iminium catalysis by biotinylated secondary amines in a model ...