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首页> 外文会议>ACS Symposium Series 892; Pan-Pacific Conference on Pesticide Science; 20030601-04; Honolulu,HI(US) >CombiChem at Bayer CropScience: What We Have Learned, Exemplified by Recent Chemistries
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CombiChem at Bayer CropScience: What We Have Learned, Exemplified by Recent Chemistries

机译：拜耳作物科学的CombiChem：我们学到的知识，最近的化学方法为例证

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At Bayer CropScience combinatorial chemistry has been used to significantly increase and diversify the compound collection for high throughput in vitro and in vivo screening. Quality aspects were seen critical along this process, from the selection of novel chemotypes with a known biological background to the purity of the test compounds. This will be exemplified by a benzotriazole library obtained by a polymer-bound version of the Sanger reagent attached via a traceless triazene linker (T1). After identification of initial fungicidal activity a thorough analysis in all relevant internal chemical and biological databases revealed the structural requirements for 2nd validation libraries, increasing the success likelihood to find potential leads worth further optimization. In a second combinatorial approach peptides with an agro-relevant mode of action will be used to derive new active ingredients. Based on cyclopropylideneacetate chemistry, a structurally extremely flexible peptidomimetic system has been developed for systematic modification of biologically important peptide motifs in potentially optimized conformations. The next step will be the identification of analogues based on this structural informations.
机译：在拜耳作物科学，组合化学已用于显着增加和多样化化合物的收集，以实现高通量的体外和体内筛选。从选择具有已知生物学背景的新型化学型到测试化合物的纯度，整个过程中质量至关重要。以苯并三唑库为例，该库由通过无痕三氮烯接头（T1）连接的Sanger试剂的聚合物结合形式获得。在确定了最初的杀真菌活性后，在所有相关内部化学和生物学数据库中进行的全面分析揭示了第二个验证库的结构要求，从而增加了寻找值得进一步优化的潜在潜在客户的成功可能性。在第二种组合方法中，具有农业相关作用模式的肽将用于衍生新的活性成分。基于环亚丙基乙酸酯化学，已经开发了结构上极其灵活的拟肽系统，用于以潜在优化的构象系统修饰生物学上重要的肽基序。下一步将是根据该结构信息鉴定类似物。

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