Expanding the medicinally relevant chemical space with compound libraries

López-VallejoF.; GiulianottiM.A.; HoughtenR.A.; Medina-FrancoJ.L.

首页> 外文期刊>Drug discovery today >Expanding the medicinally relevant chemical space with compound libraries

【24h】

Expanding the medicinally relevant chemical space with compound libraries

机译：通过化合物库扩展与医学相关的化学空间

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

Analysis of marketed drugs and commercial vendor libraries used in high-throughput screening suggests that the medicinally relevant chemical space may be expanded to unexplored regions. Novel regions of the chemical space can be conveniently explored with structurally unique molecules with increased complexity and balanced physicochemical properties. As a case study, we discuss the chemoinformatic profile of natural products in the Traditional Chinese Medicine (TCM) database and a large collection assembled from 30 small-molecule combinatorial libraries with emphasis on assessing molecular complexity. The herein surveyed combinatorial libraries have been successfully used over the past 20 years to identify novel bioactive compounds across different therapeutic areas. Combinatorial libraries and natural products are suitable sources to expand the traditional relevant medicinal chemistry space.

机译：对高通量筛选中使用的市售药物和商业供应商库的分析表明，与医学相关的化学空间可能会扩展到未开发的区域。可以使用结构独特的分子方便地探索化学空间的新区域，这些分子具有更高的复杂性和平衡的理化特性。作为案例研究，我们讨论了中药（TCM）数据库中的天然产物的化学信息图谱，以及由30个小分子组合库组成的大集合，重点是评估分子的复杂性。本文调查的组合文库已在过去20年中成功用于识别不同治疗领域的新型生物活性化合物。组合库和天然产物是扩大传统相关药物化学空间的合适来源。

著录项

来源
《Drug discovery today》 |2012年第14期|共9页
作者
López-VallejoF.; GiulianottiM.A.; HoughtenR.A.; Medina-FrancoJ.L.;
展开▼
作者单位

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类药学;
关键词

相似文献

外文文献
中文文献
专利

1. Expanding the medicinally relevant chemical space with compound libraries [J] . López-VallejoF., GiulianottiM.A., HoughtenR.A., Drug discovery today . 2012,第13a14期

机译：通过化合物库扩展与医学相关的化学空间
2. Diverging DOS Strategy Using an Allene-Containing Tryptophan Scaffold and a Library Design that Maximizes Biologically Relevant Chemical Space While Minimizing the Number of Compounds [J] . Thomas O. Painter† Lirong Wang‡ Supriyo Majumder† Xiang-Qun Xie‡ and Kay M. Brummond† American Chemical Society . 2011,第2期

机译：使用含有异戊二烯的色氨酸支架和图书馆设计最大化生物学上相关的化学空间同时最小化化合物数量的DOS策略
3. Diverging DOS Strategy Using an Allene-Containing Tryptophan Scaffold and a Library Design that Maximizes Biologically Relevant Chemical Space While Minimizing the Number of Compounds [J] . Thomas O Painter, Lirong Wang, Suprryo Majumder ACS combinatorial science . 2011,第2期

机译：使用含有异戊烯的色氨酸支架和图书馆设计最大化生物学相关化学空间同时最小化化合物数量的DOS策略
4. The Exploration of Medicinal Plants' Phytochemical Compounds as Potential Inhibitor Against Human α-3 Nicotinic Acetylcholine Receptors: The Insight from Computational Study [C] . Wira Eka Putra, Viol Dhea Kharisma, Hendra Susanto International Conference on Life Sciences and Technology . 2020

机译：药用植物植物化合物作为抗人α-3烟碱乙酰胆碱受体的潜在抑制剂的探索：计算研究的洞察
5. Biological evaluation of four selected African medicinal plants for their trypanocidal properties, mode of action, and chemical compounds. [D] . Kenguele, Hilaire Moundounga. 2009

机译：对四种选定的非洲药用植物的锥虫杀灭特性，作用方式和化合物的生物学评估。
6. A Diverging DOS Strategy Using an Allene-Containing Tryptophan Scaffold and a Library Design that Maximizes Biologically Relevant Chemical Space While Minimizing the Number of Compounds [O] . Thomas O. Painter, Lirong Wang, Supriyo Majumder, -1

机译：使用含有联烯色氨酸脚手架和图书馆设计的分歧的DOS策略以最大化生物相关的化学空间同时最小化化合物的数量
7. Diverging DOS Strategy Using an Allene-Containing Tryptophan Scaffold and a Library Design that Maximizes Biologically Relevant Chemical Space While Minimizing the Number of Compounds [O] . Thomas O. Painter, Lirong Wang, Supriyo Majumder, 2011

机译：使用含有联合烯色氨酸脚手架和图书馆设计的DOS策略发散，可以最大化生物相关化学空间，同时最小化化合物的数量

Expanding the medicinally relevant chemical space with compound libraries

摘要

著录项

相似文献

相关主题

期刊订阅