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1. 发明申请

WO2005031478A1 METHODS FOR SIMULATION OF BIOLOGICAL AND/OR CHEMICAL REACTION PATHWAY, BIOMOLECULES AND NANO-MOLECULAR SYSTEMS 审中-公开
标题翻译：生物和/或化学反应路径，生物分子和纳米分子系统的模拟方法
公开(公告)号：WO2005031478A1
公开(公告)日：2005-04-07
申请号：PCT/SG2004/000316
申请日：2004-09-28
申请人： NATIONAL UNIVERSITY OF SINGAPORE , CHEN, Yu, Zong , XU, Yong, Ping , CHEN, Jianzhong
发明人： CHEN, Yu, Zong , XU, Yong, Ping , CHEN, Jianzhong
IPC分类号： G05B17/02
CPC分类号： G06F19/12
摘要： A method for simulation of at least one biological and/or chemical reaction pathway comprising: preparing a map of at least one biological and/or chemical reaction pathway; constructing at least one set of binding and reaction equation from the pathway map; constructing at least one set of concentration equation for molecules of the pathway map; constructing an electronic circuit corresponding to every set of equation; determining simulation of pathway by measuring voltage at two or more connection points of the circuit. It is also provided a method for molecular dynamics simulation of biomolecules and/or nano-molecular systems comprising: constructing at least one set of equation representing the molecular dynamics of at least one molecule of the biomolecules and/or the nano-molecular systems; constructing an electronic circuit representing every set of equation; determining molecular dynamics simulation by measuring voltage at two or more connection points of the circuit.
摘要翻译：一种用于模拟至少一种生物和/或化学反应途径的方法，包括：制备至少一种生物和/或化学反应途径的图谱; 从路径图构建至少一组结合和反应方程; 为路径图的分子构建至少一组浓度方程; 构建对应于每一组方程的电子电路; 通过测量电路的两个或多个连接点处的电压来确定路径的模拟。还提供了生物分子和/或纳米分子系统的分子动力学模拟的方法，包括：构建代表生物分子和/或纳米分子系统的至少一个分子的分子动力学的至少一组方程; 构建代表每一组方程的电子电路; 通过测量电路两个或多个连接点处的电压来确定分子动力学模拟。

2. 发明申请

WO2009058377A1 LIGANDS SPECIFIC FOR CANNABINOID RECEPTOR SUBTYPE 2 审中-公开
标题翻译： CANNABINOID受体亚型特异性配体2
公开(公告)号：WO2009058377A1
公开(公告)日：2009-05-07
申请号：PCT/US2008/012395
申请日：2008-10-31
申请人： UNIVERSITY OF PITTSBURGH -- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION , XIE, Xiangqun , CHEN, Jianzhong , ZHANG, Yuxun
发明人： XIE, Xiangqun , CHEN, Jianzhong , ZHANG, Yuxun
IPC分类号： C07C229/00
CPC分类号： C07C257/14 , C07C2602/42
摘要： A compound of Formula I: (I) has activity as a cannabinoid receptor antagonist. In Formula 1, R1 is unsubstituted or substituted aryl, unsubstituted or substituted cycloalkyl, unsubstituted or substituted heterocyclyl, unsubstituted or substituted aralkyl, or unsubstituted or substituted heteroaryl; R2 is unsubstituted or substituted alkyl, unsubstituted or substituted aryl, or unsubstituted or substituted heteroaryl; and R3 is unsubstituted or substituted alkyl, unsubstituted or substituted aralkyl, or unsubstituted or substituted heteroaralkyl; with the proviso that at least one of Ri and R3 is other than unsubstituted aralkyl or R2 is other than unsubstituted aryl.
摘要翻译：式I的化合物：（I）具有作为大麻素受体拮抗剂的活性。在式1中，R 1是未取代或取代的芳基，未取代或取代的环烷基，未取代或取代的杂环基，未取代或取代的芳烷基或未取代或取代的杂芳基; R2是未取代或取代的烷基，未取代或取代的芳基，或未取代或取代的杂芳基; 并且R 3是未取代或取代的烷基，未取代或取代的芳烷基，或未取代或取代的杂芳烷基; 条件是R 1和R 3中的至少一个不是未取代的芳烷基，或者R 2不是未被取代的芳基。

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