Fueling open-source drug discovery: 177 small-molecule leads against tuberculosis.
Fueling open-source drug discovery: 177 small-molecule leads against tuberculosis.
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DOI：
10.1002/cmdc.201200428
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发表时间：
2013-02
期刊：
影响因子：
3.4
通讯作者：
Cammack, Nicholas
中科院分区：
文献类型：
--
作者：
Ballell, Lluis;Bates, Robert H.;Young, Rob J.;Alvarez-Gomez, Daniel;Alvarez-Ruiz, Emilio;Barroso, Vanessa;Blanco, Delia;Crespo, Benigno;Escribano, Jaime;Gonzalez, Ruben;Lozano, Sonia;Huss, Sophie;Santos-Villarejo, Angel;Julio Martin-Plaza, Jose;Mendoza, Alfonso;Jose Rebollo-Lopez, Maria;Remuinan-Blanco, Modesto;Luis Lavandera, Jose;Perez-Herran, Esther;Javier Gamo-Benito, Francisco;Francisco Garcia-Bustos, Jose;Barros, David;Castro, Julia P.;Cammack, Nicholas
为了推动开源、翻译、早期药物发现活动，最近完成的针对牛分枝杆菌BCG的抗分枝杆菌表型筛选活动的结果在M.结核病H37 Rv的疫苗已经公开。确定了一组177个有效的非细胞毒性H37 Rv命中，并将使其可用于最大限度地提高化合物对化学遗传学/蛋白质组学练习的潜在影响，同时为新的合成先导产生活动提供了大量的潜在起点。包括两个额外的药物发现相关数据集：a）反映最新铅样指南的药物样性质分析和B）所识别的聚类中最有希望的命中的早期铅代包。
With the aim of fuelling open-source, translational, early-stage drug discovery activities, the results of the recently completed antimycobacterial phenotypic screening campaign against Mycobacterium bovis BCG with hit confirmation in M. tuberculosis H37Rv were made publicly accessible. A set of 177 potent non-cytotoxic H37Rv hits was identified and will be made available to maximize the potential impact of the compounds toward a chemical genetics/proteomics exercise, while at the same time providing a plethora of potential starting points for new synthetic lead-generation activities. Two additional drug-discovery-relevant datasets are included: a) a drug-like property analysis reflecting the latest lead-like guidelines and b) an early lead-generation package of the most promising hits within the clusters identified.
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影响因子：
4.9
作者：
Rullas, Joaquin;Ignacio Garcia, Juan;Angulo-Barturen, Inigo
通讯作者：
Angulo-Barturen, Inigo
影响因子：
64.8
作者：
Gamo, Francisco-Javier;Sanz, Laura M.;Garcia-Bustos, Jose F.
通讯作者：
Garcia-Bustos, Jose F.
DOI：
10.1016/j.tube.2009.07.006
发表时间：
2009-09
期刊：
Tuberculosis (Edinburgh, Scotland)
影响因子：
--
作者：
Maddry JA;Ananthan S;Goldman RC;Hobrath JV;Kwong CD;Maddox C;Rasmussen L;Reynolds RC;Secrist JA 3rd;Sosa MI;White EL;Zhang W
通讯作者：
Zhang W
影响因子：
14.8
作者：
Grzegorzewicz, Anna E.;Ha Pham;Gundi, Vijay A. K. B.;Scherman, Michael S.;North, Elton J.;Hess, Tamara;Jones, Victoria;Gruppo, Veronica;Born, Sarah E. M.;Kordulakova, Jana;Chavadi, Sivagami Sundaram;Morisseau, Christophe;Lenaerts, Anne J.;Lee, Richard E.;McNeil, Michael R.;Jackson, Mary
通讯作者：
Jackson, Mary
影响因子：
2.7
作者：
Young, Robert J.
通讯作者：
Young, Robert J.