Optimization of the Biological Activity of Combinatorial Compound Libraries by a Genetic Algorithm | Zendy

Weber Lutz | Zendy; Wallbaum Sabine | Zendy; Broger Clemens | Zendy; Gubernator Klaus | Zendy

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Optimization of the Biological Activity of Combinatorial Compound Libraries by a Genetic Algorithm

Author(s) -

Weber Lutz,

Wallbaum Sabine,

Broger Clemens,

Gubernator Klaus

Publication year - 1995

Publication title -

angewandte chemie international edition in english

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 5.831

H-Index - 550

eISSN - 1521-3773

pISSN - 0570-0833

DOI - 10.1002/anie.199522801

Subject(s) - combinatorial chemistry , thrombin , enzyme , biological activity , function (biology) , active site , chemistry , thrombin generation , biochemistry , biology , in vitro , genetics , immunology , platelet

Artificial evolutionary synthesis can be used to find biologically active compounds out of a library of 160000 possible Ugi‐type reaction products by using an enzymatic assay (thrombin) as the feedback loop function. Thus, a reaction in generation 18 gave compound 1 , which exhibits the structural features of known thrombin inhibitors and inhibits the enzyme effectively ( K i = 0.22 μM).

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