基于系统的药物设计
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- 英文论文题名：System Based Drug Design
- 论文作者：来鲁华
- 英文论文作者：Luhua Lai ; BNLMS ; State Key for Structural Chemistry of Unstable and Stable Species ; College of Chemistry and Molecular Engineering ; Peking University
- 年：2016
- 作者机构：北京大学化学与分子工程学院北京分子动态与稳态国家重点实验室分子科学国家实验室;
- 论文关键词：系统生物学 ; 药物设计 ; 生物网络 ; 中药 ; 分子机理
- 会议召开时间：2016-07-01
- 会议录名称：中国化学会第30届学术年会摘要集-第二十五分会：化学信息学与化学计量学
- 语种：中文
- 分类号：TQ460.1
- 学会代码：ZGHY
- 会议名称：中国化学会第30届学术年会-第二十五分会 ; 化学信息学与化学计量学
- 会议地点：中国辽宁大连
- 主办单位：中国化学会
- 学会名称：中国化学会
- 页数：1
- 文件大小：131k
- 原文格式：D
- 会议级别：全国
摘要
人类疾病与复杂因素相关,近年来生命科学的发展,特别是深度测序和各种组学数据为建立复杂疾病的模型并开展基于系统的药物设计提供了机遇。我们将基于蛋白质结构的药物设计拓展到基于系统的药物设计研究,提出了针对疾病相关分子网络寻找关键结点和最优控制方案的方法,发展了多靶标药物设计方法、针对蛋白质别构位点以及无序蛋白质的药物设计方法,研究了网络拓扑结构与组合给药效果的关系等。我们近年来从系统生物学角度对于中药的分子机制进行了探讨,并探索了如何针对特定疾病或特定靶标进行草药选择与组方设计。
Human diseases are related complex genetic and environmental factors.The rapid development and accumulation of large scale omics and deep sequencing data provide new opportunities for understanding human diseases and finding better ways of therapeutic intervention.We have extended our study from structural based to systems based drug design.We developed methods for key targets and optimum intervention solution identification,multiple-target drug design,allosteric drug design,and drug combination design.We also used systems based approach to uncover molecular mechanisms of Traditional Chinese Medicine.
Human diseases are related complex genetic and environmental factors.The rapid development and accumulation of large scale omics and deep sequencing data provide new opportunities for understanding human diseases and finding better ways of therapeutic intervention.We have extended our study from structural based to systems based drug design.We developed methods for key targets and optimum intervention solution identification,multiple-target drug design,allosteric drug design,and drug combination design.We also used systems based approach to uncover molecular mechanisms of Traditional Chinese Medicine.
引文
[1]Meng,H..;Liu,Y.;Lai,L.Acc.Chem.Res.2015,48:2242.
[2]Pei,J.;Yin,N.;Ma,X.;Lai,L.J.Am.Chem.Soc.2014,136:11556.
[3]Gu,S.;Yin,N.;Pei,J.;Lai,L.Mol.BioSyst.2013,9:2696.
[4]Gu,S.;Yin,N.;Pei,J.;Lai,L.Mol.BioSyst.2013,9:1931.
[2]Pei,J.;Yin,N.;Ma,X.;Lai,L.J.Am.Chem.Soc.2014,136:11556.
[3]Gu,S.;Yin,N.;Pei,J.;Lai,L.Mol.BioSyst.2013,9:2696.
[4]Gu,S.;Yin,N.;Pei,J.;Lai,L.Mol.BioSyst.2013,9:1931.