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Protein secondary structure templates derived from bioactive natural products – Combinatorial chemistry meets structure-based design

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Abstract

Lead finding strategies in pharmaceutical research comprise structure-based drug design as well as screening efforts of natural product pools or large chemical libraries. In this context we propose a combined approach by utilizing natural product-derived structure information on receptor- or enzyme-complementarity for designing unique core structures that can be employed as privileged template molecules underlying combinatorial libraries. A set of rules for the transformation of molecular frameworks from natural products to structurally defined peptidomimetics is introduced. Special emphasis is laid on the correspondence in the orientational properties and functionalization patterns between natural products and regular protein secondary structures.

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Authors and Affiliations

  1. IM-FA, Computational Chemistry, Germany

    Gerhard Müller

  2. Central Research ZF-SF O2, Synthesis Research, Combinatorial Chemistry, Bayer AG, Building Q18, D-51368, Leverkusen, Germany

    Henry Giera

Authors
  1. Gerhard Müller
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  2. Henry Giera
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Müller, G., Giera, H. Protein secondary structure templates derived from bioactive natural products – Combinatorial chemistry meets structure-based design. J Comput Aided Mol Des 12, 1–6 (1998). https://doi.org/10.1023/A:1007954801605

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