Koch Ina, Schueler Markus, Heiner Monika
Seestr. 64, 13347 Berlin, Germany. Email:
In Silico Biol. 2005;5(2):129-37.
To understand biochemical processes caused by, e. g., mutations or deletions in the genome, the knowledge of possible alternative paths between two arbitrary chemical compounds is of increasing interest for biotechnology, pharmacology, medicine, and drug design. With the steadily increasing amount of data from high-throughput experiments new biochemical networks can be constructed and existing ones can be extended, which results in many large metabolic, signal transduction, and gene regulatory networks. The search for alternative paths within these complex and large networks can provide a huge amount of solutions, which can not be handled manually. Moreover, not all of the alternative paths are generally of interest. Therefore, we have developed and implemented a method, which allows us to define constraints to reduce the set of all structurally possible paths to the truly interesting path set. The paper describes the search algorithm and the constraints definition language. We give examples for path searches using this dedicated special language for a Petri net model of the sucrose-to-starch breakdown in the potato tuber.
为了理解由基因组中的突变或缺失等引起的生化过程,对于生物技术、药理学、医学和药物设计而言,了解任意两种化合物之间可能的替代路径变得越来越重要。随着高通量实验数据的稳步增加,可以构建新的生化网络并扩展现有的生化网络,这导致了许多大型的代谢、信号转导和基因调控网络。在这些复杂的大型网络中寻找替代路径可以提供大量的解决方案,而这些解决方案无法手动处理。此外,并非所有的替代路径通常都令人感兴趣。因此,我们开发并实现了一种方法,该方法允许我们定义约束条件,以将所有结构上可能的路径集缩减为真正有趣的路径集。本文描述了搜索算法和约束定义语言。我们给出了使用这种专门的特殊语言在马铃薯块茎中蔗糖到淀粉分解的Petri网模型上进行路径搜索的示例。