Metabolic tinker: an online tool for guiding the design of synthetic metabolic pathways.

Metabolic tinker: an online tool for guiding the design of synthetic metabolic pathways.
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DOI:
10.1093/nar/gkt234
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发表时间:
2013-06
影响因子:
14.9
通讯作者:
Soyer OS
Soyer OS
中科院分区:
生物学2区
文献类型:
--
作者:
McClymont K;Soyer OS

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合成生物学的主要目标之一是(重新)设计生产所需化学物质的代谢途径。分子生物学的快速发展使通过实验重新设计现有的途径和在微生物中或使用体外平台实现从头开始的途径成为可能。对于这样的实验研究,瓶颈正在从路径的实施转移到最初的设计。在这里,我们提出了一个名为“新陈代谢补丁”的在线工具,旨在指导任何两种所需化合物之间的合成代谢途径的设计。给定两个用户定义的“目标”和“源”化合物,新陈代谢修补师使用一种量身定制的启发式搜索策略,在整个已知的新陈代谢宇宙中搜索热力学上可行的路径。与类似的基于图的搜索工具相比,新陈代谢修补器由于其广泛的搜索基础和快速的启发式搜索,返回了更多的可能路径,并首次为发现的路径提供了热力学上的可行性信息。新陈代谢修补器以网络服务的形式在http://osslab.ex.ac.uk/tinker.aspx.上提供该网站还提供了新陈代谢补丁的源代码,使其可以进一步开发或运行在个人机器上的特定应用。
One of the primary aims of synthetic biology is to (re)design metabolic pathways towards the production of desired chemicals. The fast pace of developments in molecular biology increasingly makes it possible to experimentally redesign existing pathways and implement de novo ones in microbes or using in vitro platforms. For such experimental studies, the bottleneck is shifting from implementation of pathways towards their initial design. Here, we present an online tool called ‘Metabolic Tinker’, which aims to guide the design of synthetic metabolic pathways between any two desired compounds. Given two user-defined ‘target’ and ‘source’ compounds, Metabolic Tinker searches for thermodynamically feasible paths in the entire known metabolic universe using a tailored heuristic search strategy. Compared with similar graph-based search tools, Metabolic Tinker returns a larger number of possible paths owing to its broad search base and fast heuristic, and provides for the first time thermodynamic feasibility information for the discovered paths. Metabolic Tinker is available as a web service at http://osslab.ex.ac.uk/tinker.aspx. The same website also provides the source code for Metabolic Tinker, allowing it to be developed further or run on personal machines for specific applications.
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