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首页> 外文期刊>Combinatorial chemistry & high throughput screening >Chemogenomics: a discipline at the crossroad of high throughput technologies, biomarker research, combinatorial chemistry, genomics, cheminformatics, bioinformatics and artificial intelligence.
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Chemogenomics: a discipline at the crossroad of high throughput technologies, biomarker research, combinatorial chemistry, genomics, cheminformatics, bioinformatics and artificial intelligence.

机译：化学基因组学：高通量技术，生物标志物研究，组合化学，基因组学，化学信息学，生物信息学和人工智能的交叉学科。

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Chemogenomics is the study of the interaction of functional biological systems with exogenous small molecules, or in broader sense the study of the intersection of biological and chemical spaces. Chemogenomics requires expertises in biology, chemistry and computational sciences (bioinformatics, cheminformatics, large scale statistics and machine learning methods) but it is more than the simple apposition of each of these disciplines. Biological entities interacting with small molecules can be isolated proteins or more elaborate systems, from single cells to complete organisms. The biological space is therefore analyzed at various postgenomic levels (genomic, transcriptomic, proteomic or any phenotypic level). The space of small molecules is partially real, corresponding to commercial and academic collections of compounds, and partially virtual, corresponding to the chemical space possibly synthesizable. Synthetic chemistry has developed novel strategies allowing a physical exploration of this universe of possibilities. A major challenge of cheminformatics is to charter the virtual space of small molecules using realistic biological constraints (bioavailability, druggability, structural biological information). Chemogenomics is a descendent of conventional pharmaceutical approaches, since it involves the screening of chemolibraries for their effect on biological targets, and benefits from the advances in the corresponding enabling technologies and the introduction of new biological markers. Screening was originally motivated by the rigorous discovery of new drugs, neglecting and throwing away any molecule that would fail to meet the standards required for a therapeutic treatment. It is now the basis for the discovery of small molecules that might or might not be directly used as drugs, but which have an immense potential for basic research, as probes to explore an increasing number of biological phenomena. Concerns about the environmental impact of chemical industry open new fields of research for chemogenomics.
机译：化学基因组学是对功能性生物系统与外源性小分子相互作用的研究，或者从广义上讲，是对生物和化学空间相交的研究。化学基因组学要求生物学，化学和计算科学（生物信息学，化学信息学，大规模统计和机器学习方法）方面的专业知识，但不仅仅是这些学科中的简单学科。与小分子相互作用的生物实体可以是分离的蛋白质或更复杂的系统，从单个细胞到完整的生物。因此，在各种后基因组水平（基因组，转录组学，蛋白质组学或任何表型水平）上分析生物空间。小分子的空间是部分真实的，对应于化合物的商业和学术收藏，而部分是虚拟的，对应于可能合成的化学空间。合成化学已经开发出新颖的策略，可以对这种可能性进行物理探索。化学信息学的主要挑战是使用现实的生物学限制条件（生物利用度，药物作用，结构生物学信息）来租用小分子的虚拟空间。化学基因组学是常规药物方法的后代，因为它涉及对化学文库对生物靶标作用的筛选，并受益于相应使能技术的进步和新生物标记的引入。筛选最初是由新药的严格发现引起的，忽略并丢弃了任何不符合治疗标准的分子。现在，它是发现可能会或可能不会直接用作药物，但在基础研究方面具有巨大潜力的小分子的基础，作为探索越来越多的生物学现象的探针。对化学工业环境影响的担忧为化学基因组学开辟了新的研究领域。

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