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应中央军委要求,2022年9月起,《药学实践杂志》将更名为《药学实践与服务》,双月刊,正文96页;2023年1月起,拟出版月刊,正文64页,数据库收录情况与原《药学实践杂志》相同。欢迎作者踊跃投稿!

全新药物设计方法与常用软件及其在抗癌药物设计中的应用

殷丽 陈临溪

殷丽, 陈临溪. 全新药物设计方法与常用软件及其在抗癌药物设计中的应用[J]. 药学实践与服务, 2014, 32(1): 9-15,34. doi: 10.3969/j.issn.1006-0111.2014.01.003
引用本文: 殷丽, 陈临溪. 全新药物设计方法与常用软件及其在抗癌药物设计中的应用[J]. 药学实践与服务, 2014, 32(1): 9-15,34. doi: 10.3969/j.issn.1006-0111.2014.01.003
YIN Li, CHEN Linxi. Applications of the common software and methods of denovo drug design in the antitumor drug design[J]. Journal of Pharmaceutical Practice and Service, 2014, 32(1): 9-15,34. doi: 10.3969/j.issn.1006-0111.2014.01.003
Citation: YIN Li, CHEN Linxi. Applications of the common software and methods of denovo drug design in the antitumor drug design[J]. Journal of Pharmaceutical Practice and Service, 2014, 32(1): 9-15,34. doi: 10.3969/j.issn.1006-0111.2014.01.003

全新药物设计方法与常用软件及其在抗癌药物设计中的应用

doi: 10.3969/j.issn.1006-0111.2014.01.003
基金项目: 国家自然科学基金(81270420);教育部留学归国人员科研启动基金(20091590);湖南省高校创新平台开放基金(10K051);湖南省自然科学基金省市联合(衡阳)基金重点项目(12JJ8013);湖南省十二五重点学科资助.

Applications of the common software and methods of denovo drug design in the antitumor drug design

  • 摘要: 计算机辅助药物设计已普遍应用于药物研发过程,大大加快了药物开发的速度。特别是全新药物设计方法可以用于识别作用于特异性靶点的全新配体结构。全新药物设计常用软件有LUDI,LigBuilder,LeapFrog,SPROUT和SYNOPSIS等,常用方法有片段连接、片段生长、侧链替换和骨架跃迁等。全新药物设计方法在一些抗癌化合物,如纺锤体驱动蛋白抑制剂、血管内皮生长因子抑制剂、亲环蛋白A抑制剂和BRAF抑制剂等的发现方面,已经发挥了重要作用。综述全新药物设计方法与常用软件,并举例讨论其在新型抗癌药物领域中的应用。
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  • 收稿日期:  2013-02-21
  • 修回日期:  2013-09-06

全新药物设计方法与常用软件及其在抗癌药物设计中的应用

doi: 10.3969/j.issn.1006-0111.2014.01.003
    基金项目:  国家自然科学基金(81270420);教育部留学归国人员科研启动基金(20091590);湖南省高校创新平台开放基金(10K051);湖南省自然科学基金省市联合(衡阳)基金重点项目(12JJ8013);湖南省十二五重点学科资助.

摘要: 计算机辅助药物设计已普遍应用于药物研发过程,大大加快了药物开发的速度。特别是全新药物设计方法可以用于识别作用于特异性靶点的全新配体结构。全新药物设计常用软件有LUDI,LigBuilder,LeapFrog,SPROUT和SYNOPSIS等,常用方法有片段连接、片段生长、侧链替换和骨架跃迁等。全新药物设计方法在一些抗癌化合物,如纺锤体驱动蛋白抑制剂、血管内皮生长因子抑制剂、亲环蛋白A抑制剂和BRAF抑制剂等的发现方面,已经发挥了重要作用。综述全新药物设计方法与常用软件,并举例讨论其在新型抗癌药物领域中的应用。

English Abstract

殷丽, 陈临溪. 全新药物设计方法与常用软件及其在抗癌药物设计中的应用[J]. 药学实践与服务, 2014, 32(1): 9-15,34. doi: 10.3969/j.issn.1006-0111.2014.01.003
引用本文: 殷丽, 陈临溪. 全新药物设计方法与常用软件及其在抗癌药物设计中的应用[J]. 药学实践与服务, 2014, 32(1): 9-15,34. doi: 10.3969/j.issn.1006-0111.2014.01.003
YIN Li, CHEN Linxi. Applications of the common software and methods of denovo drug design in the antitumor drug design[J]. Journal of Pharmaceutical Practice and Service, 2014, 32(1): 9-15,34. doi: 10.3969/j.issn.1006-0111.2014.01.003
Citation: YIN Li, CHEN Linxi. Applications of the common software and methods of denovo drug design in the antitumor drug design[J]. Journal of Pharmaceutical Practice and Service, 2014, 32(1): 9-15,34. doi: 10.3969/j.issn.1006-0111.2014.01.003
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