Proteases screening for the kinetic resolution of amines with N-acyl α-amino acid trifluoromethyl esters: automated docking approach of binding energies using …

…, S Queyroy, N Azzi-Schue, N Vanthuyne…

Index: Bottalla, Anne-Lise; Queyroy, Severine; Azzi-Schue, Nadia; Vanthuyne, Nicolas; Gastaldi, Stephane; Bertrand, Michele P.; Gil, Gerard Tetrahedron Asymmetry, 2009 , vol. 20, # 24 p. 2823 - 2834

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Citation Number: 10

Abstract

The screening of a panel of 17 proteases resulted in the selection of 4 serine proteases for the resolution of 3-amino-1-phenylbutane. The latter were used to determine the best acyl donor from a series of N-acyl α-amino acid trifluoroethyl esters selected as peptide mimetics (E factor up to 99). The results were correlated to an automated docking determination of their binding affinities for Subtilisin Novo.