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1. 发明申请

WO0214875A3 METHOD AND SYSTEM FOR PREDICTING AMINO ACID SEQUENCE 审中-公开
标题翻译：用于预测氨基酸序列的方法和系统
公开(公告)号：WO0214875A3
公开(公告)日：2003-02-27
申请号：PCT/IL0100769
申请日：2001-08-16
申请人： UNIV RAMOT , BECKER OREN M , TOPF MAYA
发明人： BECKER OREN M , TOPF MAYA
IPC分类号： G01N33/68 , G06F19/16 , G06F17/50 , G06F19/00
CPC分类号： G06F19/16 , G01N33/6803
摘要： A method for predicting an amino acid sequence compatible with a three-dimensional (3D) structure of a protein is provided by the present invention. In general, a reduced virtual representation of the 3D structure is constructed, and, for each position along the representation, its solvent accessibility is determined. For each position along the structure, an amino acid residue is randomly selected from a predefined group of amino acids having a solvent accessibility compatible with the solvent accessibility of the position. A Monte-Carlo simulation is performed on this devised protein in which an amino acid at a particular position is sequentially replaced with other amino acids having the same solvent accessibility, and an energy score is calculated for each rotamer. The lowest scoring rotamer for this position is then selected The Monte-Carlo simulation is repeated for each position along the sequence, to obtain an amino acid sequence with the lowest total energy score. The invention also provides a computer based system, a computer program storage device readable by machine and a computer program product utilized for the execution of the method of the invention.
摘要翻译：本发明提供了一种用于预测与蛋白质的三维（3D）结构相容的氨基酸序列的方法。通常，构造3D结构的减少的虚拟表示，并且对于沿着表示的每个位置，确定其溶剂可访问性。对于沿着结构的每个位置，氨基酸残基从预定义的氨基酸组中随机选择，其具有与该位置的溶剂可及性相容的溶剂可及性。对该设计蛋白质进行Monte-Carlo模拟，其中特定位置的氨基酸被顺序地替换为具有相同溶剂可及性的其它氨基酸，并计算每个旋转异构体的能量分数。然后选择该位置的最低得分旋转异构体对沿着序列的每个位置重复蒙特卡罗模拟，以获得具有最低总能量分数的氨基酸序列。本发明还提供了一种基于计算机的系统，由机器可读的计算机程序存储装置和用于执行本发明的方法的计算机程序产品。

2. 发明申请

WO0215106A2 A METHOD AND SYSTEM FOR THE PREDICTION OF A 3D STRUCTURE OF A TRANSMEMBRANE PROTEIN 审中-公开
标题翻译：一种用于预测转运蛋白3D结构的方法和系统
公开(公告)号：WO0215106A2
公开(公告)日：2002-02-21
申请号：PCT/IL0100768
申请日：2001-08-16
申请人： UNIV RAMOT , BECKER OREN M , NAOR ZVI , SHACHAM SHARON , TOPF MAYA
发明人： BECKER OREN M , NAOR ZVI , SHACHAM SHARON , TOPF MAYA
IPC分类号： G06F19/16 , G06F19/00
CPC分类号： G06F19/16
摘要： The present invention relates to a method for predicting the three-dimensional (3D) structure of a multiple a-helical transmembrane (TM) protein or a portion thereof having multiple helical TM helices, whereby each helical region is represented as a (2D) dial, and the weighted hydrophobicity moment of each (2D) dial is calculated. Closed packing geometries are constructed in which the dials are ordered according to predetermined topologies. For each closed packing geometry, each dial is rotated around its axis so that the weighted hydrophobicity moment faces out from the packing geometry. Each rotated (2D) closed packing geometry is expanded into a corresponding reduced (3D) representation, and the reduced (3D) representation with the lowest total energy is determined. Further provided by the present invention is a computer based system, a computer program storage device readable by machine and a computer program product for the execution of the method of the invention.
摘要翻译：本发明涉及一种用于预测多个α-螺旋跨膜（TM）蛋白质或其多个螺旋TM螺旋的部分的三维（3D）结构的方法，其中每个螺旋区域表示为（2D）刻度盘，并计算每个（2D）刻度盘的加权疏水力矩。构建封闭的几何形状，其中根据预定的拓扑结构对刻度盘进行排序。对于每个封闭的包装几何形状，每个表盘围绕其轴线旋转，使得加权的疏水性力矩从包装几何形状出发。每个旋转的（2D）封闭填充几何扩展为相应的缩小（3D）表示，并且确定具有最低总能量的缩小（3D）表示。本发明还提供了一种基于计算机的系统，可由机器读取的计算机程序存储装置和用于执行本发明的方法的计算机程序产品。

3. 发明申请

WO2007109330A2 S1P RECEPTOR MODULATING COMPOUNDS 审中-公开
标题翻译： S1P受体调节化合物
公开(公告)号：WO2007109330A2
公开(公告)日：2007-09-27
申请号：PCT/US2007007037
申请日：2007-03-21
申请人： EPIX DELAWARE INC , SAHA ASHIS , YU XIANG Y , LOBERA MERCEDES , LIN JIAN , CHERUKU SRINIVASA R , BECKER OREN M , MARANTZ YAEL , SCHUTZ NILI
发明人： SAHA ASHIS , YU XIANG Y , LOBERA MERCEDES , LIN JIAN , CHERUKU SRINIVASA R , BECKER OREN M , MARANTZ YAEL , SCHUTZ NILI
IPC分类号： C07D403/10 , A61K31/4178 , A61P35/00 , A61P37/00
CPC分类号： C07D403/10
摘要： The present invention relates to compounds that have activity as SlP receptor modulating agents and the use of such compounds to treat diseases associated with inappropriate SlP receptor activity. In certain embodiments, the compounds of the invention relate to aryl oxoimidazolidinyls.
摘要翻译：本发明涉及具有S1P受体调节剂活性的化合物和这些化合物用于治疗与不适当的S1P受体活性相关的疾病的用途。在某些实施方案中，本发明的化合物涉及芳基氧代咪唑烷基。

4. 发明申请

WO2007047394A3 THIOTRIAZOLYL DERIVATIVES 审中-公开
标题翻译：硫脲衍生物
公开(公告)号：WO2007047394A3
公开(公告)日：2009-04-23
申请号：PCT/US2006039945
申请日：2006-10-12
申请人： EPIX DELAWARE INC , FICHMAN MERAV , CHEN DONGLI , PENLAND ROBERT CHRISTIAN , REDDY A SEKAR , MOHANTY PRADYUMNA , MELENDEZ ROSA , MARANTZ YAEL , SCHUTZ NILI , RAMAKRISHNA PRASAD , SHACHAM SHARON , SAHA ASHIS , NOIMAN SILVIA , BECKER OREN M
发明人： FICHMAN MERAV , CHEN DONGLI , PENLAND ROBERT CHRISTIAN , REDDY A SEKAR , MOHANTY PRADYUMNA , MELENDEZ ROSA , MARANTZ YAEL , SCHUTZ NILI , RAMAKRISHNA PRASAD , SHACHAM SHARON , SAHA ASHIS , NOIMAN SILVIA , BECKER OREN M
IPC分类号： A61K31/497
CPC分类号： C07D249/10 , C07D403/12 , C07D405/04 , C07D405/06 , C07D405/12 , C07D405/14 , C07D409/14 , C07D417/14
摘要： The invention relates to KvI.5 ion channel antagonists. Novel thiotriazolyl derivative compounds represented by Formula I, and synthesis and uses thereof for treating diseases mediated directly or indirectly by KvI.5 ion channels, are disclosed. Such conditions include numerous heart conditions including atrial fibrillation and other diseases; as well as epilepsy, anxiety, depression, age-related memory loss, migraine, obesity, Parkinson's disease or Alzheimer's disease. Methods of preparation and novel intermediates and pharmaceutical salts thereof are also provided.
摘要翻译：本发明涉及KvI.5离子通道拮抗剂。公开了由式I表示的新颖的三噻唑衍生物化合物及其用于治疗由KvI.5离子通道直接或间接介导的疾病的合成及其用途。这种情况包括许多心脏病，包括房颤和其他疾病; 以及癫痫，焦虑，抑郁，与年龄有关的记忆丧失，偏头痛，肥胖，帕金森病或阿尔茨海默病。还提供了制备方法和新型中间体及其药用盐。

5. 发明申请

WO2012172438A3 COMPOSITIONS AND METHODS FOR MODULATING A KINASE 审中-公开
标题翻译：用于调节激酶的组合物和方法
公开(公告)号：WO2012172438A3
公开(公告)日：2013-03-28
申请号：PCT/IB2012001987
申请日：2012-06-07
申请人： DYNAMIX PHARMACEUTICALS LTD , BECKER OREN M , BLOCH ITAI , BEN-ZEEV EFRAT , SHITRIT ALINA , YACOVAN AVIHAI , GAZAL SHARON , BEHAR VERED , KONSON ALEXANDER , SCHUTZ NILI , MIRILASHVILI SIMA , GOLAN GALI
发明人： BECKER OREN M , BLOCH ITAI , BEN-ZEEV EFRAT , SHITRIT ALINA , YACOVAN AVIHAI , GAZAL SHARON , BEHAR VERED , KONSON ALEXANDER , SCHUTZ NILI , MIRILASHVILI SIMA , GOLAN GALI
IPC分类号： C07D417/04 , A61K31/427 , A61K31/4439 , A61K31/454 , A61K31/496 , A61K31/501 , A61K31/5377 , C07D417/14 , C07D471/04 , C07D487/04 , C07D491/113 , C07D491/147 , C07D495/04 , C07D495/22 , C07D513/04
CPC分类号： C07D417/04 , A61K31/427 , A61K31/5377 , C07D413/14 , C07D417/12 , C07D417/14 , C07D471/04 , C07D487/04 , C07D491/113 , C07D491/147 , C07D495/04 , C07D495/22 , C07D513/04
摘要： The invention relates to compounds of formula (1) and methods for modulating one or more components of a kinase signaling cascade.
摘要翻译：本发明涉及式（1）的化合物和调节激酶信号级联的一种或多种成分的方法。

6. 发明申请

WO2012172438A2 COMPOSITIONS AND METHODS FOR MODULATING A KINASE 审中-公开
标题翻译：用于调节激酶的组合物和方法
公开(公告)号：WO2012172438A2
公开(公告)日：2012-12-20
申请号：PCT/IB2012001987
申请日：2012-06-07
申请人： DYNAMIX PHARMACEUTICALS LTD , BECKER OREN M , BLOCH ITAI , BEN-ZEEV EFRAT , SHITRIT ALINA , YACOVAN AVIHAI , GAZAL SHARON , BEHAR VERED , KONSON ALEXANDER , SCHUTZ NILI , MIRILASHVILI SIMA , GOLAN GALI
发明人： BECKER OREN M , BLOCH ITAI , BEN-ZEEV EFRAT , SHITRIT ALINA , YACOVAN AVIHAI , GAZAL SHARON , BEHAR VERED , KONSON ALEXANDER , SCHUTZ NILI , MIRILASHVILI SIMA , GOLAN GALI
CPC分类号： C07D417/04 , A61K31/427 , A61K31/5377 , C07D413/14 , C07D417/12 , C07D417/14 , C07D471/04 , C07D487/04 , C07D491/113 , C07D491/147 , C07D495/04 , C07D495/22 , C07D513/04
摘要： The invention relates to compounds and methods for modulating components of a kinase signaling cascade.
摘要翻译：本发明涉及用于调节激酶信号级联组分的化合物和方法。

7. 发明申请

WO2007058805A3 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS 审中-公开
标题翻译：用于治疗CNS病症的组合物和方法
公开(公告)号：WO2007058805A3
公开(公告)日：2007-10-04
申请号：PCT/US2006043140
申请日：2006-11-06
申请人： EPIX PHARM INC , DHANOA DALE S , BECKER OREN M , NOIMAN SILVIA , MOHANTY PRADYUMNA , CHEN DONGLI , LOBERA MERCEDES , WU LAURENCE , MARANTZ YAEL , INBAL BOAZ , HEIFETZ ALEXANDER , BAR-HAIM SHAY , SHACHAM SHARON
发明人： DHANOA DALE S , BECKER OREN M , NOIMAN SILVIA , MOHANTY PRADYUMNA , CHEN DONGLI , LOBERA MERCEDES , WU LAURENCE , MARANTZ YAEL , INBAL BOAZ , HEIFETZ ALEXANDER , BAR-HAIM SHAY , SHACHAM SHARON
IPC分类号： A61K31/4365 , A61K31/55 , A61K45/06 , A61P25/22 , A61P25/24 , A61P25/28
CPC分类号： A61K45/06 , A61K31/4365 , A61K31/439 , A61K31/50 , A61K31/55 , A61K2300/00
摘要： The invention generally relates to thienopyridinone 5-HT4 receptor modulators, and in particular the use of these compounds and their pharmaceutical compositions, e.g., in the treatment, modulation and/or prevention of physiological conditions associated with serotonin action, such as in treating Alzheimer's disease, cognition disorders, depression, and anxiety.
摘要翻译：本发明一般涉及噻吩并吡啶酮5-HT4受体调节剂，特别是这些化合物及其药物组合物的用途，例如用于治疗，调节和/或预防与5-羟色胺作用有关的生理条件，例如治疗阿尔茨海默病，认知障碍，抑郁和焦虑。

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