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1. 发明申请

US20060167247A1 Urea inhibitors of MAP kinases 失效
标题翻译： MAP激酶的尿素抑制剂
公开(公告)号：US20060167247A1
公开(公告)日：2006-07-27
申请号：US11295638
申请日：2005-12-07
申请人： Enrique Michelotti , Eric Springman , Duyan Nguyen , Rupa Shetty , Younghee Lee , Kristofer Moffett , Jennifer Ludington , Ted Fujimoto , Zenon Konteatis , Bin Liu , Frank Hollinger , Bruce Dorsey
发明人： Enrique Michelotti , Eric Springman , Duyan Nguyen , Rupa Shetty , Younghee Lee , Kristofer Moffett , Jennifer Ludington , Ted Fujimoto , Zenon Konteatis , Bin Liu , Frank Hollinger , Bruce Dorsey
IPC分类号： C07D417/02 , C07D413/02 , C07D409/02
CPC分类号： C07D333/38 , C07D231/40 , C07D243/08 , C07D277/48 , C07D277/56 , C07D295/192 , C07D333/36 , C07D403/06 , C07D405/06 , C07D409/04 , C07D409/06 , C07D409/12 , C07D413/12 , C07D413/14 , C07D417/06 , C07D417/14 , C07D495/04
摘要： The present invention is directed to a compound having the formula wherein R1, R2, G, and Q are defined herein. The compounds of the present invention are useful as inhibitors of protein kinases such as MAP kinases, in particular p38 kinases. The present invention is also directed to compositions comprising a compound according to the above formula. The compounds and compositions described herein are useful for treating and preventing an inflammatory condition or disease. The present invention is also directed to a method of treating or preventing a protein kinase-mediated condition.
摘要翻译：本发明涉及具有下式的化合物：其中R 1，R 2，G和Q在本文中定义。本发明的化合物可用作蛋白激酶如MAP激酶，特别是p38激酶的抑制剂。本发明还涉及包含根据上式的化合物的组合物。本文所述的化合物和组合物可用于治疗和预防炎性疾病或疾病。本发明还涉及治疗或预防蛋白激酶介导的病症的方法。

2. 发明申请

US20050222776A1 Method for fragment preparation 审中-公开
标题翻译：片段制备方法
公开(公告)号：US20050222776A1
公开(公告)日：2005-10-06
申请号：US10813553
申请日：2004-03-31
申请人： Jennifer Ludington , Ted Fujimoto , Frank Hollinger
发明人： Jennifer Ludington , Ted Fujimoto , Frank Hollinger
IPC分类号： G01N33/48 , G01N33/50 , G01N33/68 , G06F19/00
CPC分类号： G01N33/6803 , G16B15/00
摘要： A method for characterizing a molecular fragment to collect data related to the fragment that allows its evaluation for drug discovery purposes. Starting with a two-dimensional model of the fragment, an initial three-dimensional model of the fragment is derived. Conformers of the fragment are identified. The conformers are then clustered, and a representative conformer is selected from each cluster. An ab initio or semi-empirical calculation and analysis is performed on one or more of the selected conformers. Each atom in the selected conformer is then assigned a type. The selected conformer is analyzed to determine if it is structurally symmetric. If so, the three-dimensional model of the fragment is adjusted to reflect the symmetry. The size of the fragment is calculated to allow geometric analysis of how the fragment physically fits with the protein and/or other fragments. The solvation energy of the fragment is calculated. The free energy curve for the fragment is calculated. Derivatization points for the fragment are then determined; a score is then assigned to each derivatization point, reflecting the ease or difficulty in bonding at the derivatization points. The fragment is then assigned a name and categorized. The fragment and its data derived in the above process can then be stored in a database.
摘要翻译：用于表征分子片段以收集与该片段相关的数据的方法，其允许其评估药物发现目的。从片段的二维模型开始，导出片段的初始三维模型。确定片段的构象。然后将构象异构体聚集，并从每个聚类中选择代表性构象。对一个或多个所选构象进行从头或半经验的计算和分析。然后将所选构象异构体中的每个原子分配一个类型。分析所选择的构象异构体以确定其是否在结构上对称。如果是这样，则调整片段的三维模型以反映对称性。计算片段的大小以允许对片段与蛋白质和/或其他片段物理匹配的几何分析。计算片段的溶剂化能。计算片段的自由能曲线。然后确定片段的衍生点; 然后将分数分配给每个衍生化点，反映在衍生化点处的粘合的容易性或难度。然后将该片段分配一个名称并进行分类。然后将上述过程中导出的片段及其数据存储在数据库中。

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