A subset-oriented algorithm for minimizing the number of steps required for synthesis of cyclic-peptide libraries

Tran, T. T., Bryant, D. E. and Smythe, M. L. (2002) A subset-oriented algorithm for minimizing the number of steps required for synthesis of cyclic-peptide libraries. Computers and Chemistry, 26 2: 113-117. doi:10.1016/S0097-8485(01)00087-0


Author Tran, T. T.
Bryant, D. E.
Smythe, M. L.
Title A subset-oriented algorithm for minimizing the number of steps required for synthesis of cyclic-peptide libraries
Journal name Computers and Chemistry   Check publisher's open access policy
ISSN 1476-9271
Publication date 2002-02-01
Sub-type Article (original research)
DOI 10.1016/S0097-8485(01)00087-0
Volume 26
Issue 2
Start page 113
End page 117
Total pages 5
Place of publication United Kingdom
Publisher Pergamon
Language eng
Subject C1
780101 Mathematical sciences
230101 Mathematical Logic, Set Theory, Lattices And Combinatorics
Abstract Libraries of cyclic peptides are being synthesized using combinatorial chemistry for high throughput screening in the drug discovery process. This paper describes the min_syn_steps.cpp program (available at http://www.imb.uq.edu.au/groups/smythe/tran), which after inputting a list of cyclic peptides to be synthesized, removes cyclic redundant sequences and calculates synthetic strategies which minimize the synthetic steps as well as the reagent requirements. The synthetic steps and reagent requirements could be minimized by finding common subsets within the sequences for block synthesis. Since a brute-force approach to search for optimum synthetic strategies is impractically large, a subset-orientated approach is utilized here to limit the size of the search. (C) 2002 Elsevier Science Ltd. All rights reserved.
Q-Index Code C1

Document type: Journal Article
Sub-type: Article (original research)
Collections: Excellence in Research Australia (ERA) - Collection
School of Physical Sciences Publications
 
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Created: Wed, 15 Aug 2007, 04:44:30 EST