生物信息与农兽药设计平台
发布时间:2011年03月07日     点击次数::
 
   生物信息与农兽药设计平台针对农业微生物国家重点实验室重要的动植物病原菌,利用海量组学数据,构建病原菌全基因组水平上的代谢网络,通过代谢通量分析及网络拓扑结构参数计算来寻找代谢网络中具有重要拓扑参数、代谢通量较高、并且在宿主动物中没有同源蛋白的杀菌剂作用靶标作为潜在靶标,并对潜在靶标进行实验验证;根据选定的靶标建立药物筛选模型,通过分子对接、QSAR等计算机辅助药物设计方法,在商品化合物数据库中筛选潜在的杀菌化合物;将靶标酶进行原核表达,建立生物活性测试系统,构建靶标酶活性位点突变体库,在酶和菌体水平上测定筛选出的杀菌化合物的酶抑制率和杀菌活性,进而阐明靶标酶与抑制剂的相互作用机理。
 
         
 
软硬件设施
硬件:曙光高性能计算集群(总计160个计算核心、804G内存、50T存储)、DELL PowerEdge R900计算服务器2台、DELL PowerEdge R300计算服务器1台、IBM图形工作站2台等;
软件:生物信息学流程处理平台Pipeline Pilot (Student Edition)和InforSense、药物设计软件包sybyl及MOE、代谢网络构建分析Pathway Studio,等;中药化学(TCMD)、大英农药杀虫剂数据库(BCPC)、NCI、Zinc等数据库。
 
代表性论文:
Hong-Fang Ji*, Hong-Yu Zhang*. β-sheet constitution of prion proteins. Trends Biochem. Sci., 2010, 35:129-134.(SCI, IF: 11.572)
Hong-Yu Zhang*, Ling-Ling Chen, Xue-Juan Li, Jian Zhang. Evolutionary inspirations for drug discovery. Trends Pharmacol. Sci., 2010, 31: 443-448. (SCI, IF: 9.064)
De-Xin Kong, Ying-Ying Jiang, Hong-Yu Zhang*. Marine natural products as sources of novel scaffolds: achievement and concern. Drug Discov. Today, 2010, 15: 884-886. (SCI, IF: 6.630)
Na Gao, Ling-Ling Chen*, Hong-Fang Ji, Wei Wang, Ji-Wei Chang, Bei Gao, Lin Zhang, Shi-Cui Zhang, Hong-Yu Zhang*. DIGAP - a database of improved gene annotation for phytopathogens. BMC Genomics, 2010, 11: 54. (SCI, IF: 3.926)
Hong-Yu Zhang*, Xue-Juan Li, Na Gao, Ling-Ling Chen. Antioxidants used by Deinococcus radiodurans and implications for antioxidant drug discovery. Nat. Rev. Microbiol., 2009, 7: 476. (SCI, IF: 14.310)
De-Xin Kong, Xue-juan Li, Hong-yu Zhang*. Where is the hope for drug discovery? Let history tell the future. Drug Discov. Today, 2009, 14: 115-119. (SCI, IF: 6.630, ScienceDirect Top25 Hottest Articles)
De-Xin Kong, Wei Ren, Wei Lu, Hong-Yu Zhang*. Do Biologically Relevant Compounds Have More Chance To Be Drugs? J. Chem. Info. Model., 2009, 49: 2376-2381. (SCI, IF:3.882)
Ling-Ling Chen*, Bin-Guang Ma, Na Gao. Reannotation of hypothetical ORFs in plant pathogen Erwinia carotovora subsp. atroseptica SCRI1043. FEBS J., 2008, 275: 198-206. (SCI, IF: 3.139)
Hong-Fang Ji, De-Xin Kong, Liang Shen, Ling-Ling Chen, Bin-Guang Ma, Hong-Yu Zhang*. Distribution patterns of small-molecule ligands in the protein universe and implications for origin of life and drug discovery. Genome Biol., 2007, 8: R176. (SCI, IF: 6.153)
Ling-Ling Chen*. Identification of genomic islands in six plant pathogens. Gene, 2006, 374: 134-141. (SCI, IF: 2.578)
 
   
 植物病原菌基因组再注释数据库         农业微生物信息中心
   http://ibi.hzau.edu.cn/digap/       http://ibi.hzau.edu.cn/bcam/
 
 
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