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基于细胞的药物表型筛选及表型组学的计算研究

Computational Studies on Cell-Based Phenotypic Screening of Drug and Phenome

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【作者】 徐筱杰陈丽蓉古江勇罗芳

【Author】 Xiaojie Xu;Lirong Chen;Jiangyong Gu;Fang Luo;College of Chemistry and Molecular Engineering,Peking University;

【机构】 北京大学化学与分子工程学院

【摘要】 近年来基于动物、器官、组织、细胞的表型筛选因与疾病有紧密的关联及更利于一类新药的发现而受到广泛关注。基于细胞的表型筛选在保持合理的实验效率的同时,还体现了疾病相关生物途径及其相互作用的系统特征。因此细胞的表型筛选,特别是最近发展的针对细胞特定功能的生物途径的筛选策略将成为有前景及重要的药物筛选途径。人类表型组学是研究人类的所有表型性状,表型间的关联及表型与不同疾病之间的关系。表型组学的目的是利用新型高通量计算和信息学技术推导基因型-表型关联及全基因组分子网络。目前一个清晰的趋势是人类疾病机制的研究已开始从遗传学向表型组学转移。近年来我们课题组发展了针对细胞多种特定功能的生物途径的药效及药物分子间的协同或拮抗作用的计算评估方法。目前我们也在发展关联不同细胞表型及表型与疾病关系的计算方法。

【Abstract】 Recently, there appears to be renewed interest in reinventing phenotypic screenings based on animal, organ, tissue and cell. Cell-based phenotypic screening is usually more relevant with disease and more successful for the discovery of first-in-class drugs. Cell-based phenotypic assays maintain reasonable experimental efficiency and reflect the systems characteristics of disease-related biological pathways and their interactions. Therefore, the cell-based phenotypic screening, especially the screenings based on biological pathways developed in recent years will become more promising and important for drug discovery. The human phenome follows with interest all human phenotypes and their relations, and the relationships between phenotypes and various diseases. The phenomics aims to develop novel high-throughput computational and informatics technologies to discover the genotype–phenotype associations and genome-wide molecular networks. It has become clear that the paradigm of studies on the mechanisms of human diseases has being shifting from genetics to phenomics. In recent years our group developed computational approaches for evaluation of drug efficacy and synergistic or antagonistic effects between drugs based on biological pathways. The computational methods for phenotypic associations between different pathways and the relationships between phenotypes and diseases are being developed in our group.

【关键词】 药物筛选表型筛选表型组学协同拮抗
  • 【会议录名称】 中国化学会第29届学术年会摘要集——第19分会:化学信息学与化学计量学
  • 【会议名称】中国化学会第29届学术年会
  • 【会议时间】2014-08-04
  • 【会议地点】中国北京
  • 【分类号】R96
  • 【主办单位】中国化学会
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