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Letters in Drug Design & Discovery


ISSN (Print): 1570-1808
ISSN (Online): 1875-628X

Towards an Experimental de Novo Design Protocol. The use of Protein Crystallography to Deconvolute Dynamic Combinatorial Processes

Author(s): Robert E. Babine, Michael J. Rynkiewicz, Lei Jin and Sherin S. Abdel-Meguid

Volume 1, Issue 2, 2004

Page: [173 - 177] Pages: 5

DOI: 10.2174/1570180043485617

Price: $65


Preliminary experiments demonstrate that the results of dynamic combinatorial chemistry (DCC) processes can be deconvoluted using X-ray crystallography. The examples reported involve adduct formation between serine proteases, boric acid and a mixture of as many as eleven alcohols. Several DCC experiments are described and in each case X-ray crystallography provides a useful tool for product identification. These results demonstrate the assembly, selection and identification of products that form the basis of an experimental de novo drug design protocol.

Keywords: dynamic combinatorial chemistry, dcc, x-ray crystallography, boric acid, trypsin, thrombin, experimental de novo design

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