18. Peptide Design by Nature-Inspired Algorithms

  1. Gisbert Schneider
  1. Jan A. Hiss1 and
  2. Gisbert Schneider2

Published Online: 11 OCT 2013

DOI: 10.1002/9783527677016.ch18

De novo Molecular Design

De novo Molecular Design

How to Cite

Hiss, J. A. and Schneider, G. (2013) Peptide Design by Nature-Inspired Algorithms, in De novo Molecular Design (ed G. Schneider), Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany. doi: 10.1002/9783527677016.ch18

Editor Information

  1. ETH Zürich, Institute of Pharmaceutical Sciences, Wolfgang-Pauli-Strasse 10, 8093 Zürich, Switzerland

Author Information

  1. 1

    Swiss Federal Institute of Technology (ETH), Department of Chemistry and Applied Biosciences, Institute of Pharmaceutical Sciences, Wolfgang-Pauli-Strasse 10, 8093, Zürich, Switzerland

  2. 2

    ETH Zürich, Institute of Pharmaceutical Sciences, Wolfgang-Pauli-Strasse 10, 8093 Zürich, Switzerland

Publication History

  1. Published Online: 11 OCT 2013
  2. Published Print: 13 NOV 2013

ISBN Information

Print ISBN: 9783527334612

Online ISBN: 9783527677016

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Keywords:

  • Peptide design;
  • sequence-based methods;
  • template-based methods;
  • nature-inspired optimization;
  • simulated molecular evolution;
  • genetic algorithm

Summary

Synthetic peptides have recently regained much attention in medicinal chemistry and chemical biology, vaulting designed, and chemically modified amino acid sequences to the forefront of a new wave of next-generation drugs. At large, peptides make excellent drug leads because they are small, easily synthesized, and often selective for macromolecular targets, particularly membrane receptors and ion channels. However, a particular drawback of wild-type or unmodified synthetic peptides is their often extreme susceptibility to enzymatic degradation, which can be overcome by chemical modification or alternative backbone architecture. In this chapter, we present selected computational methods and design concepts for the generation of novel bioactive peptides together with chemical optimization tricks to increase peptide stability. This chapter focuses on nature-inspired algorithms, which have been successfully applied to peptide design, along with worked examples.