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用于药物发现的化学基因组学方法:相似的受体结合相似的配体。

Chemogenomic approaches to drug discovery: similar receptors bind similar ligands.

作者信息

Klabunde T

机构信息

Sanofi-Aventis Pharma Deutschland GmbH, Science & Medical Affairs, Drug Design, Industriepark Hoechst, Frankfurt am Main, Germany.

出版信息

Br J Pharmacol. 2007 Sep;152(1):5-7. doi: 10.1038/sj.bjp.0707308. Epub 2007 May 29.

DOI:10.1038/sj.bjp.0707308
PMID:17533415
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC1978276/
Abstract

Within recent years, a paradigm shift from traditional receptor-specific studies to a cross-receptor view has taken place within pharmaceutical research to increase the efficiency of modern drug discovery. Receptors are no longer viewed as single entities but grouped into sets of related proteins or receptor families that are explored in a systematic manner. This interdisciplinary approach attempting to derive predictive links between the chemical structures of bioactive molecules and the receptors with which these molecules interact is referred to as chemogenomics. Insights from chemogenomics are used for the rational compilation of screening sets and for the rational design and synthesis of directed chemical libraries to accelerate drug discovery.

摘要

近年来,药物研究领域发生了范式转变,从传统的受体特异性研究转向交叉受体视角,以提高现代药物发现的效率。受体不再被视为单个实体,而是被归类为相关蛋白质组或受体家族,并以系统的方式进行探索。这种试图推导生物活性分子化学结构与这些分子相互作用的受体之间预测性联系的跨学科方法被称为化学基因组学。化学基因组学的见解被用于合理编纂筛选集以及合理设计和合成定向化学文库,以加速药物发现。

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本文引用的文献

1
Chemogenomic approaches to rational drug design.用于合理药物设计的化学基因组学方法。
Br J Pharmacol. 2007 Sep;152(1):38-52. doi: 10.1038/sj.bjp.0707307. Epub 2007 May 29.
2
Virtual screen for ligands of orphan G protein-coupled receptors.孤儿G蛋白偶联受体配体的虚拟筛选
J Chem Inf Model. 2005 Sep-Oct;45(5):1402-14. doi: 10.1021/ci050006d.
3
A physicogenetic method to assign ligand-binding relationships between 7TM receptors.一种用于确定7次跨膜受体之间配体结合关系的物理遗传学方法。
Bioorg Med Chem Lett. 2005 Aug 15;15(16):3707-12. doi: 10.1016/j.bmcl.2005.05.102.
4
Selective optimization of side activities: another way for drug discovery.选择性优化辅助活性:药物发现的另一种途径。
J Med Chem. 2004 Mar 11;47(6):1303-14. doi: 10.1021/jm030480f.
5
Property-based design of GPCR-targeted library.基于性质的GPCR靶向文库设计。
J Chem Inf Comput Sci. 2002 Nov-Dec;42(6):1332-42. doi: 10.1021/ci025538y.
6
Chemogenomic approaches to drug discovery.用于药物发现的化学基因组学方法。
Curr Opin Chem Biol. 2001 Aug;5(4):464-70. doi: 10.1016/s1367-5931(00)00229-5.
7
The Nobel chronicles. 1988: James Whyte Black, (b 1924), Gertrude Elion (1918-99), and George H Hitchings (1905-98).诺贝尔奖编年史。1988年:詹姆斯·怀特·布莱克(生于1924年)、格特鲁德·埃利恩(1918 - 1999)和乔治·H·希钦斯(1905 - 1998)。
Lancet. 2000 Mar 18;355(9208):1022. doi: 10.1016/s0140-6736(05)74775-9.