Ligand screening large-scale

Kiss, R., Kiss, B., Kdnczdl, A., Szalai, F., Jelinek, 1., Laszlo, V., Noszal, B., Falus, A., and Keresii, G.M. (2008) Discovery of novel human histamine H4 receptor ligands by large-scale structure-based virtual screening. Journal of Medicinal Chemistry, 51, 3145-3153. 

At the other extreme if you have no knowledge of the protein structure, no candidate ligands, and the X-ray structure is not yet known then a high throughput screening of primary large scale collections of compounds or combinatorial libraries would be screened. These techniques would use roboticized and miniaturized assays and be done to search for possible binding compounds. 

Huang, N., Kalyanaraman, C., Irwin, J.J., and Jacobson, M.P. (2006) Physics-based scoring of protein-ligand complexes enrichment of known inhibitors in large-scale virtual screening. Journal of Chemical Information and Modeling, 46, 243-253. 

Fine chemical applications of rhodium-catalyzed hydroformylation have steadily increased over the past 20 years. Use of this chemistry in the fragrance industry appears to be relatively common. Pharmaceutical applications have started to increase as the technology becomes more familiar to process chemists. The commercial availability of ligands for both linear-selective hydroformylation and asymmetric hydroformylation has removed a barrier for screening catalysts by synthetic chemists. As additional large-scale examples of rhodium-catalyzed hydroformylation continue to be published, we expect this technology to be applied even more widely to fine chemical synthesis. 

Research into reaction mechanisms Screening for active catalysts Process optimization Large-scale production Well characterized catalyst prepared separately (20) Catalyst precursor and ligand combined in situ (21) Performance of preformed catalyst and in situ combination is compared (22) Catalyst precursor and ligand often combined in situ, or preformed catalyst used (22)... 

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