Combinatorial libraries focused

Stahura, F. L., Xue, L., Godden, J. W., Bajorath, J. (1999) Molecular scaffold-based design and comparison of combinatorial libraries focused on the ATP-binding site of protein kinases. /Mol Graph Model 17, 1-9, 51-52. 

W Zheng, SI Cho, A Tropsha. Rational combinatorial library design 1. Focus-2D A new approach to the design of targeted combinatorial chemical libraries. J Chem Inf Comput Sci 38 251-258, 1998. 

Both PASP and MAOS are by now recognized as powerful tools by synthetic chemists. The use of both techniques together is somewhat newer and has not yet reached widespread use, as the relatively small number of publications testifies. However, we feel that the examples presented clearly demonstrate how powerful this combination can be, in particular if we keep in mind how complementary these tools are, one simplifying work-up and purification procedures while the other one decreases the reaction time. Considering the ever-increasing interest in the pharmaceutical industry for focused, mediumsized, high purity combinatorial libraries, this combination should attract more and more interest from both academic and industrial laboratories. At the same time, the need to increase productivity should bring synthetic and... 

Considerable interest is focused on the calculahon of H-bonding capability in the design of combinatorial libraries, for assessing the potenhal for oral absorphon and permeability [16, 62-65]. A number of different descriptors for H-bonding have been discussed [66], one of the simplest being the count of the number of H-bond forming atoms [67]. 

Tab. 18.2 Focused combinatorial libraries and their associated recognition elements...

Young, S.S. and Ge, N., Design of diversity and focused combinatorial libraries in drug discovery, Curr. Opin. Drug Disc. Dev., 2004, 7, 318-324. 

At first, combinatorial chemistry focused on peptide and nucleotide libraries synthesis, but because poor pharmacokinetical properties cause poor oral availability of this kind of molecule, there is increasing interest in the development of new methods to prepare small, drug-tike molecules which obey lipinski s mle of five [303]. Heterocyclic compounds can offer a high degree of structural diversity and have proven to be useful as therapeutic agents. For these, there are recent advances in the preparation of heterocycles on solid supports [304]. The examples reported in this section are organized by their ring size. 

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