Enzyme inhibitors are usually classified as competitive, non-competitive or mixed non-competitive. Each of these designations has a serious limitation in that it only describes an extreme of inhibitory behaviour. The non-competitive inhibition equation only considers an approach to complete inhibition

Complete reconstruction of an enzyme-inhibitor binding process by molecular dynamics simulations.

Ignasi Buch et al.

Proceedings of the National Academy of Sciences of the United States of America, 108(25), 10184-10189 (2011-06-08)

The understanding of protein-ligand binding is of critical importance for biomedical research, yet the process itself has been very difficult to study because of its intrinsically dynamic character. Here, we have been able to quantitatively reconstruct the complete binding process

Trypsin-ligand binding free energies from explicit and implicit solvent simulations with polarizable potential.

Dian Jiao et al.

Journal of computational chemistry, 30(11), 1701-1711 (2009-04-29)

We have calculated the binding free energies of a series of benzamidine-like inhibitors to trypsin with a polarizable force field using both explicit and implicit solvent approaches. Free energy perturbation has been performed for the ligands in bulk water and

Biochemical study and in vitro insect immune suppression by a trypsin-like secreted protease from the nematode Steinernema carpocapsae.

N Balasubramanian et al.

Parasite immunology, 32(3), 165-175 (2010-04-20)

A trypsin-like serine protease was purified by gel filtration and anion-exchange chromatography from the excretory-secretory products of parasitic phase Steinernema carpocapsae. The purified protease exhibited a molecular mass of about 29 kDa by SDS-PAGE and displayed a pI of 6.3.

Molecularly imprinted microgels as enzyme inhibitors.

Arnaud Cutivet et al.

Journal of the American Chemical Society, 131(41), 14699-14702 (2009-09-25)

We demonstrate, on the example of trypsin, the use of water-soluble molecularly imprinted polymer microgels as specific enzyme inhibitors. Using a strong anchoring monomer, methacryloylaminobenzamidine, the growing polymer chains are confined to close proximity of the substrate recognition site of

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