Modeling Zinc Enzyme Inhibition with Functional Thiolate Ligands

2006 ◽  
Vol 45 (26) ◽  
pp. 10799-10806 ◽  
Author(s):  
Teame Tekeste ◽  
Heinrich Vahrenkamp
Keyword(s):  
Enzyme Inhibition ◽  
Thiolate Ligands ◽  
Zinc Enzyme

Optimal Duration of the Preincubation Phase in Enzyme Inhibition Experiments

2020 ◽  
Author(s):  
Petr Kuzmic
Keyword(s):  
Enzyme Inhibition ◽  
Dose Response ◽  
Enzyme Inhibitor ◽  
Single Point ◽  
Association Rate ◽  
Weakly Bound ◽  
Inhibitor Complex ◽  
Dissociation Equilibrium ◽  
Optimal Duration ◽  
Algebraic Formula

This report describes an algebraic formula to calculate the optimal duration of the pre-incubation phase in enzyme-inhibition experiments, based on the assumed range of expected values for the dissociation equilibrium constant of the enzyme–inhibitor complex and for the bimolecular association rate constant. Three typical experimental scenarios are treated, namely, (1) single-point primary screening at relatively high inhibitor concentrations; (2) dose-response secondary screening of relatively weakly bound inhibitors; (3) dose-response screening of tightly-bound inhibitors.

Highly Fluorescent Au25-xAgx Nanoclusters Protected with Poly(ethylene glycol) - and Zwitterion-Modified Thiolate Ligands

2018 ◽  
Author(s):  
Dinesh Mishra ◽  
Sisi Wang ◽  
Zhicheng Jin ◽  
Eric Lochner ◽  
Hedi Mattoussi
Keyword(s):  
Quantum Yield ◽  
Near Infrared ◽  
Small Diameter ◽  
Binding Energies ◽  
Thiolate Ligands ◽  
Nir Emission ◽  
Thiolate Complexes ◽  
Long Lifetime ◽  
Poly Ethylene

<p>We describe the growth and characterization of highly fluorescing, near-infrared-emitting nanoclusters made of bimetallic Au<sub>25-x</sub>Ag<sub>x</sub> cores, prepared using various monothiol-appended hydrophobic and hydrophilic ligands. The reaction uses well-defined triphenylphosphine-protected Au<sub>11</sub> clusters (as precursors), which are reacted with Ag(I)-thiolate complexes. The prepared nanoclusters are small (diameter < 2nm, as characterized by TEM) with emission peak at 760 nm and long lifetime (~12 µs). The quantum yield measured for these materials was 0.3 - 0.4 depending on the ligand. XPS measurements show the presence of both metal atoms in the core, with measured binding energies that agree with reported values for nanocluster materials. The NIR emission combined with high quantum yield, small size and ease of surface functionalization afforded by the coating, make these materials suitable to implement investigations that address fundamental questions and potentially useful for biological sensing and imaging applications.<br></p>

Mycobacterial DNA GyrB Inhibitors: Ligand Based Pharmacophore Modelling and In Vitro Enzyme Inhibition Studies

2014 ◽  
Vol 14 (17) ◽  
pp. 1990-2005 ◽  
Author(s):  
Shalini Saxena ◽  
Janupally Renuka ◽  
Variam Jeankumar ◽  
Perumal Yogeeswari ◽  
Dharmarajan Sriram
Keyword(s):  
Enzyme Inhibition ◽  
Pharmacophore Modelling ◽  
Inhibition Studies
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