生物学研究.pdf

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生物学研究.pdf

Hans Journal of Computational Biology 计算生物学, 2012, 2, 1-9 doi:10.4236/hjcb.2012.21001 Published Online March 2012 (/journal/hjcb) Reconstruction of Erwinia carotovora subsp. atroseptica SCRI1043 Metabolic Network and Its Application in Screening Potential Targets * Jun Wang, Cheng Wang, Dexin Kong, Lingling Chen College of Life Science and Technology, Huazhong Agricultural University, Wuhan * Email: llchen@ Received: Feb. 10th, 2012; revised: Feb. 25th, 2012; accepted: Mar. 2nd, 2012 Abstract: Erwinia carotovora subsp. atroseptica SCRI1043 (Eca SCRI1043) is a widespread phytopathogen that causes blackleg and soft rot disease in potatoes. In this paper, we reconstructed the metabolic network of Eca SCRI1043 based on its genomic information. Through the topology and flux balance analysis, hub nodes of the network were selected. After that TTD database was used to screen those hubs and find out the candidate targets. Undecaprenyl pyrophosphate synthetase (Upps) was chosen to do homology modeling and virtual screening by using the comercialize compounds database provided by specs company. Finally, 73 compounds were screened manually in the top scoring 400 compounds. Keywords: Erwinia carotovora subsp. atroseptica SCRI1043; Metabolic Networks; Flux-Balance Analysis; Homology Modeling; Virtual Screening 胡萝卜软腐欧文氏菌代谢网络重构及其在靶标筛选中的应用 王 君,王 成,孔德信,陈玲玲* 华中农业大学生命科学技术学院,武汉 * Email: llchen@ 收稿日期:2012 年2 月10 日;修回日期:2012 年2 月25 日;录用日期:2012 年3 月2 日 摘 要:欧文氏杆菌(Erwin

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