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Molecular dynamics simulation of cyclodextrin inclusion complexes in enzymatic lipid hydrolysis

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Summary

Cyclodextrin derivatives can increase the enzymatic hydrolysis of triolein in aqueous solution. Two types of cyclodextrin inclusion complexes could be responsible for this effect. In the present study, molecular dynamics simulations clearly suggest that cyclodextrin hosts only the liberated fatty acid thus accelerating lipolysis by decreasing product inhibition.

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Authors and Affiliations

  1. Department of Enzymology, Central Food Research Institute, Herman O. u. 15, 1025, Budapest, Hungary

    Györgyi J. Kolossváry

  2. Department of Chemical Information Technology, Technical University of Budapest, Szt. Gellért tér 4., 1521, Budapest, Hungary

    István Kolossváry

Authors
  1. Györgyi J. Kolossváry
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  2. István Kolossváry
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Kolossváry, G.J., Kolossváry, I. Molecular dynamics simulation of cyclodextrin inclusion complexes in enzymatic lipid hydrolysis. Biotechnol Lett 18, 440–444 (1996). https://doi.org/10.1007/BF00143467

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  • DOI: https://doi.org/10.1007/BF00143467

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