Therapeutic target database update 2012: a resource for facilitating target-oriented drug discovery.
Therapeutic target database update 2012: a resource for facilitating target-oriented drug discovery.
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DOI：
10.1093/nar/gkr797
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发表时间：
2012-01
影响因子：
14.9
通讯作者：
Chen Y
中科院分区：
文献类型：
--
作者：
Zhu F;Shi Z;Qin C;Tao L;Liu X;Xu F;Zhang L;Song Y;Liu X;Zhang J;Han B;Zhang P;Chen Y
对治疗靶点（负责药物疗效）和靶向药物的了解和研究有助于靶点和药物的发现和验证。开发治疗目标数据库（TTD，http://bidd.nus.edu.sg/group/ttd/ttd.asp）是为了提供有关疗效目标和相应批准的临床试验和研究药物的全面信息。自上次更新以来，TTD 进行了重大改进和更新。除了数据内容显着增加（从1894个靶点和5028个药物到2025个靶点和17-816种药物）外，我们还增加了932个靶点的靶点验证信息（针对靶点的药物效力、针对疾病模型的效果以及靶点敲除、敲低或遗传变异的影响），以及228种化学类型的活性化合物针对121个靶点的841个定量结构活性关系模型。此外，我们还添加了之前药物研究的数据，包括针对 108 个靶点对的 3681 种多靶点药物、116 种具有协同、加成、拮抗、增强或还原机制的药物组合、1427 种天然产物衍生的批准药物、临床试验和临床前药物，以及与 ClinicalTrials.gov 数据库中 770 种临床试验药物的临床试验信息页面的交叉链接。这些更新有助于促进靶点发现和验证、先导药物发现和优化以及多靶点药物和药物组合的开发。
Knowledge and investigation of therapeutic targets (responsible for drug efficacy) and the targeted drugs facilitate target and drug discovery and validation. Therapeutic Target Database (TTD, http://bidd.nus.edu.sg/group/ttd/ttd.asp) has been developed to provide comprehensive information about efficacy targets and the corresponding approved, clinical trial and investigative drugs. Since its last update, major improvements and updates have been made to TTD. In addition to the significant increase of data content (from 1894 targets and 5028 drugs to 2025 targets and 17 816 drugs), we added target validation information (drug potency against target, effect against disease models and effect of target knockout, knockdown or genetic variations) for 932 targets, and 841 quantitative structure activity relationship models for active compounds of 228 chemical types against 121 targets. Moreover, we added the data from our previous drug studies including 3681 multi-target agents against 108 target pairs, 116 drug combinations with their synergistic, additive, antagonistic, potentiative or reductive mechanisms, 1427 natural product-derived approved, clinical trial and pre-clinical drugs and cross-links to the clinical trial information page in the ClinicalTrials.gov database for 770 clinical trial drugs. These updates are useful for facilitating target discovery and validation, drug lead discovery and optimization, and the development of multi-target drugs and drug combinations.
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DOI：
10.1021/ci00020a039
发表时间：
1994-07-01
期刊：
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES
影响因子：
--
作者：
SADOWSKI, J;GASTEIGER, J;KLEBE, G
通讯作者：
KLEBE, G
影响因子：
56.9
作者：
LARDER, BA;KEMP, SD;HARRIGAN, PR
通讯作者：
HARRIGAN, PR
影响因子：
120.1
作者：
Nelson, Aaron L.;Dhimolea, Eugen;Reichert, Janice M.
通讯作者：
Reichert, Janice M.
通过组合支持向量机虚拟筛选选择性多靶点激酶抑制剂
影响因子：
4.9
作者：
Ma, X. H.;Wang, R.;Chen, Y. Z.
通讯作者：
Chen, Y. Z.
影响因子：
14.9
作者：
Chen, X;Ji, ZL;Chen, YZ
通讯作者：
Chen, YZ