Structures of the reported diphenyl urea derivatives.

<p>In the upper part, compounds which showed good inhibitory activity. In the bottom part, compounds which showed poor activity. The pharmacophoric points are also shown; in red for hydrogen acceptor points, in blue for hydrogen donor points and in green for hydrophobic points.</p

Activities of the reported diphenyl urea derivatives.

<p>Activities of the reported diphenyl urea derivatives.</p

Comparison of transketolase model with crystal structure.

<p>A) Superimposition of the homology model of human transketolase (in pink) with the recently released crystal structure (in white). B) Close view of the residues used for pharmacophore definition, in the homology model (in pink and thin residues) and in the crystal structure (in white and thick residues).</p

Proposed binding mode of compound T2 and its derivatives (T2A–T2F).

<p>Black dots represent hydrogen bonds.</p

Transketolase structure model.

<p>A) Homology model of human transketolase showing the antiparallel alpha helices involved in dimerization. B) Close view of the alpha helix D200-G210 showing the selected residues of the 5-point pharmacophore. HY: hydrophobic contact, HA: hydrogen acceptor, HD: hydrogen donor.</p