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Molecules 2017, 22(8), 1248; doi:10.3390/molecules22081248

Rapid Mechanistic Evaluation and Parameter Estimation of Putative Inhibitors in a Single-Step Progress-Curve Analysis: The Case of Horse Butyrylcholinesterase

Institute of Biochemistry, Faculty of Medicine, University of Ljubljana, Vrazovtrg 2, 1000 Ljubljana, Slovenia
Received: 30 June 2017 / Accepted: 21 July 2017 / Published: 26 July 2017
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Abstract

Highly efficient and rapid lead compound evaluation for estimation of inhibition parameters and type of inhibition is proposed. This is based on a single progress-curve measurement in the presence of each candidate compound, followed by the simultaneous analysis of all of these curves using the ENZO enzyme kinetics suite, which can be implemented as a web application. In the first step, all of the candidate ligands are tested as competitive inhibitors. Where the theoretical curves do not correspond to the experimental data, minimal additional measurements are added, with subsequent processing according to modified reaction mechanisms. View Full-Text
Keywords: butyrylcholinestersae; inhibitors and reactivators; enzymic mechanism butyrylcholinestersae; inhibitors and reactivators; enzymic mechanism
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Stojan, J. Rapid Mechanistic Evaluation and Parameter Estimation of Putative Inhibitors in a Single-Step Progress-Curve Analysis: The Case of Horse Butyrylcholinesterase. Molecules 2017, 22, 1248.

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