The conceptual basis for structure-based drug design was formulated 100 years ago by Emil
Fischer. 1 His" lock and key" hypothesis is a constantly recurring leitmotif in modern drug …

The influence of a xenobiotic compound on an organism is usually summarized by the
expression biological activity. If a controlled, therapeutically relevant, and regulatory action …

The ubiquitous purine nucleoside phosphorylases (PNPs) play a key role in the purine
salvage pathway, and PNP deficiency in humans leads to an impairment of T-cell function …

We have developed a new multi-purpose program, LigBuilder, for structure-based drug
design. Within the structural constraints of the target protein, LigBuilder builds up ligands …

In this paper, we present SMoG (S mall Mo lecule G rowth), a novel, straightforward method
for de novo lead design and the evidence for its effectiveness. It is based on a simple model …

Now Updated! Burger's Medicinal Chemistry, Drug Discovery and Development provides a
comprehensive source on medicinal chemistry and drug discovery and development. This …

The understanding of noncovalent interactions in protein–ligand complexes is essential in
modern biochemistry and should contribute toward the discovery of new drugs. In the …

Molecular docking uses the three-dimensional structure of a receptor to screen a small
molecule database for potential ligands. The dependence of docking screens on the …

The reversible phosphorolysis of purine and pyrimidine nucleosides is an important
biochemical reaction in the salvage pathway, which provides an alternative to the de novo …

Genetic defects in human purine nucleoside phosphorylase cause T-cell deficiency as the
major phenotype. It has been proposed that efficient inhibitors of the enzyme might intervene …