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1. 发明申请

US20120058965A1 METHODS AND SYSTEMS FOR MODULATING HORMONES AND RELATED METHODS, AGENTS AND COMPOSITIONS 有权
标题翻译：用于调制HORMONES的方法和系统及相关方法，试剂和组合物
公开(公告)号：US20120058965A1
公开(公告)日：2012-03-08
申请号：US13163638
申请日：2011-06-17
申请人： William A. GODDARD, III , Mark MENNA , Stephen PANDOL , Ravinder ABROL
发明人： William A. GODDARD, III , Mark MENNA , Stephen PANDOL , Ravinder ABROL
IPC分类号： A61K31/704 , A61K31/17 , A61K31/717 , C08B15/06 , C12N5/071 , A61K31/205 , A61K31/353 , A61K31/122 , A61K31/4745 , A61K31/10 , A61K31/12 , A61K31/366 , A61K31/352 , G01N33/566 , A61P3/04 , A61P3/10 , A61P3/00 , A61P1/16 , A61P9/00 , A61K31/513
CPC分类号： G01N33/566 , A61K31/10 , A61K31/12 , A61K31/122 , A61K31/167 , A61K31/17 , A61K31/205 , A61K31/352 , A61K31/353 , A61K31/365 , A61K31/4375 , A61K31/4745 , A61K31/513 , A61K31/7016 , A61K31/704 , A61K47/61 , G01N2333/705
摘要： Provided herein are bitter taste receptor ligands, related agents, combinations, compositions, methods and systems for modulating release of a metabolic hormone in vitro or in vivo from cells of the GI tract of an individual.
摘要翻译：本文提供了苦味味受体配体，相关剂，组合，组合物，方法和系统，用于在个体的胃肠道的细胞体外或体内调节代谢激素的释放。

2. 发明申请

US20160356773A1 METHODS AND SYSTEMS FOR MODULATING HORMONES AND RELATED METHODS, AGENTS AND COMPOSITIONS 审中-公开
标题翻译：用于调制HORMONES的方法和系统及相关方法，试剂和组合物
公开(公告)号：US20160356773A1
公开(公告)日：2016-12-08
申请号：US15009824
申请日：2016-01-29
申请人： WILLIAM A. GODDARD, III , MARK MENNA , STEPHEN PANDOL , RAVINDER ABROL
发明人： WILLIAM A. GODDARD, III , MARK MENNA , STEPHEN PANDOL , RAVINDER ABROL
IPC分类号： G01N33/566 , A61K31/17
CPC分类号： G01N33/566 , A61K31/10 , A61K31/12 , A61K31/122 , A61K31/167 , A61K31/17 , A61K31/205 , A61K31/352 , A61K31/353 , A61K31/365 , A61K31/4375 , A61K31/4745 , A61K31/513 , A61K31/7016 , A61K31/704 , A61K47/61 , G01N2333/705
摘要： Provided herein are bitter taste receptor ligands, related agents, combinations, compositions, methods and systems for modulating release of a metabolic hormone in vitro and in vivo from cells of the GI tract of an individual.
摘要翻译：本文提供了苦味味受体配体，相关剂，组合，组合物，方法和系统，用于在体外和体内从个体胃肠道的细胞中调节代谢激素的释放。

3. 发明授权

US09272051B2 Methods and systems for modulating hormones and related methods, agents and compositions 有权
标题翻译：用于调节激素和相关方法，药剂和组合物的方法和系统
公开(公告)号：US09272051B2
公开(公告)日：2016-03-01
申请号：US14320159
申请日：2014-06-30
申请人： William A. Goddard, III , Mark Menna , Stephen Pandol , Ravinder Abrol
发明人： William A. Goddard, III , Mark Menna , Stephen Pandol , Ravinder Abrol
IPC分类号： A61K31/513 , A61K31/704 , A61K31/352 , A61K31/122 , A61K31/12 , A61K31/353 , A61K47/48 , A61K31/10 , A61K31/167 , A61K31/205 , A61K31/365 , A61K31/4375 , A61K31/4745 , A61K31/7016 , G01N33/566 , A61K31/17
CPC分类号： G01N33/566 , A61K31/10 , A61K31/12 , A61K31/122 , A61K31/167 , A61K31/17 , A61K31/205 , A61K31/352 , A61K31/353 , A61K31/365 , A61K31/4375 , A61K31/4745 , A61K31/513 , A61K31/7016 , A61K31/704 , A61K47/61 , G01N2333/705
摘要： Provided herein are bitter taste receptor ligands, related agents, combinations, compositions, methods and systems for modulating release of a metabolic hormone in vitro or in vivo from cells of the GI tract of an individual.
摘要翻译：本文提供了苦味味受体配体，相关试剂，组合，组合物，方法和系统，用于在个体的胃肠道的细胞体外或体内调节代谢激素的释放。

4. 发明授权

US08796233B2 Methods and systems for modulating hormones and related methods, agents and compositions 有权
标题翻译：用于调节激素和相关方法，药剂和组合物的方法和系统
公开(公告)号：US08796233B2
公开(公告)日：2014-08-05
申请号：US13163638
申请日：2011-06-17
申请人： William A. Goddard, III , Mark Menna , Stephen Pandol , Ravinder Abrol
发明人： William A. Goddard, III , Mark Menna , Stephen Pandol , Ravinder Abrol
IPC分类号： A61K31/704 , A61K31/10 , A61K31/12 , A61K31/122 , A61K47/48
CPC分类号： G01N33/566 , A61K31/10 , A61K31/12 , A61K31/122 , A61K31/167 , A61K31/17 , A61K31/205 , A61K31/352 , A61K31/353 , A61K31/365 , A61K31/4375 , A61K31/4745 , A61K31/513 , A61K31/7016 , A61K31/704 , A61K47/61 , G01N2333/705
摘要： Provided herein are bitter taste receptor ligands, related agents, combinations, compositions, methods and systems for modulating release of a metabolic hormone in vitro or in vivo from cells of the GI tract of an individual.
摘要翻译：本文提供了苦味味受体配体，相关试剂，组合，组合物，方法和系统，用于在个体的胃肠道的细胞体外或体内调节代谢激素的释放。

5. 发明申请

US20140364387A1 METHODS AND SYSTEMS FOR MODULATING HORMONES AND RELATED METHODS, AGENTS AND COMPOSITIONS 有权
标题翻译：用于调制HORMONES的方法和系统及相关方法，试剂和组合物
公开(公告)号：US20140364387A1
公开(公告)日：2014-12-11
申请号：US14320159
申请日：2014-06-30
申请人： William A. GODDARD, III , Mark MENNA , Stephan PANDOL , Ravinder ABROL
发明人： William A. GODDARD, III , Mark MENNA , Stephan PANDOL , Ravinder ABROL
IPC分类号： A61K47/48 , A61K31/17 , A61K31/704 , A61K31/352 , A61K31/122 , A61K31/4375 , A61K31/10 , A61K31/12 , A61K31/513 , A61K31/353
CPC分类号： G01N33/566 , A61K31/10 , A61K31/12 , A61K31/122 , A61K31/167 , A61K31/17 , A61K31/205 , A61K31/352 , A61K31/353 , A61K31/365 , A61K31/4375 , A61K31/4745 , A61K31/513 , A61K31/7016 , A61K31/704 , A61K47/61 , G01N2333/705
摘要： Provided herein are bitter taste receptor ligands, related agents, combinations, compositions, methods and systems for modulating release of a metabolic hormone in vitro or in vivo from cells of the GI tract of an individual.
摘要翻译：本文提供了苦味味受体配体，相关剂，组合，组合物，方法和系统，用于在个体的胃肠道的细胞体外或体内调节代谢激素的释放。

6. 发明申请

US20110144966A1 METHODS FOR PREDICTION OF BINDING POSES OF A MOLECULE 审中-公开
标题翻译：用于预测分子结合位置的方法
公开(公告)号：US20110144966A1
公开(公告)日：2011-06-16
申请号：US12944700
申请日：2010-11-11
申请人： William A. Goddard, III , Ravinder Abrol , Ismet C. Tanrikulu , Adam R. Griffith
发明人： William A. Goddard, III , Ravinder Abrol , Ismet C. Tanrikulu , Adam R. Griffith
IPC分类号： G06G7/58
CPC分类号： G16B15/00
摘要： A method for prediction of binding poses of a binding molecule to a target molecule is provided. The method involves a step of providing, clustering, and evaluating binding poses of the binding molecule. The providing and clustering of the poses is performed by a single or multiple iteration procedure. The evaluation of the poses is determined from interaction energies between particular poses and the target molecule.
摘要翻译：提供了一种用于预测结合分子与靶分子的结合姿势的方法。该方法包括提供，聚集和评估结合分子的结合姿势的步骤。姿势的提供和聚类通过单次或多次迭代过程进行。姿势的评估由特定姿势与目标分子之间的相互作用能确定。

7. 发明申请

US20090037118A1 METHODS FOR PREDICTING THREE-DIMENSIONAL STRUCTURES FOR ALPHA HELICAL MEMBRANE PROTEINS AND THEIR USE IN DESIGN OF SELECTIVE LIGANDS 审中-公开
标题翻译：用于预测ALPHA螺旋膜蛋白质三维结构的方法及其在选择性配体设计中的应用
公开(公告)号：US20090037118A1
公开(公告)日：2009-02-05
申请号：US12142707
申请日：2008-06-19
申请人： Ravinder Abrol , William A. Goddard , Adam R. Griffith , Victor Wai Tak Kam
发明人： Ravinder Abrol , William A. Goddard , Adam R. Griffith , Victor Wai Tak Kam
IPC分类号： G06F19/00 , G01N33/68
CPC分类号： C07K14/705 , G01N2500/04
摘要： A method for practical prediction of the three-dimensional structure of α-helical membrane proteins (HMPs) is described. The method allows one to predict the binding site and structure for strongly bound ligands. The method combines a protocol of computational methods enabling a complete ensemble of packings to be sampled and systematically reducing this ensemble to progressively more accurate structures until at the end there remain a few that might be functionally relevant and likely to play a role in all binding and activation processes. This method is well suited to automatic operation making it practical to obtain, for example, the ensemble of important structures for all human GPCRs. With this ensemble of all active GPCR structures in the human body, an infimum method is presented to maximize efficacy toward the selected target while minimizing binding to all other GPCRs to eliminate toxicity arising from cross-reacting with other GPCRs (a most common source of drug failure). This infimum method is broadly applicable to any set of proteins where a ligand is desired to be able to modulate the function of one protein while not affecting the function of other proteins.
摘要翻译：描述了用于实际预测α-螺旋膜蛋白（HMP）的三维结构的方法。该方法可以预测强结合配体的结合位点和结构。该方法结合了计算方法的协议，使得可以采集完整的填料集合，并系统地将该集合减少到渐进更准确的结构，直到最后仍然存在几个可能在功能上相关并且可能在所有绑定和激活过程。该方法非常适合于自动操作，使得获得例如所有人类GPCR的重要结构的整体成为可行。使用人体中所有活性GPCR结构的整体，提出了一种最佳方法，以最大限度地提高针对所选靶标的功效，同时将与所有其他GPCR的结合最小化，以消除由于与其他GPCR（最常见的药物来源）的交叉反应而产生的毒性失败）。这种最终方法广泛适用于任何一组蛋白质，其中配体需要能够调节一种蛋白质的功能而不影响其他蛋白质的功能。

8. 发明授权

US10253084B2 Methods for predicting three-dimensional structures for alpha helical membrane proteins and their use in design of selective ligands 有权
公开(公告)号：US10253084B2
公开(公告)日：2019-04-09
申请号：US12142707
申请日：2008-06-19
申请人： Ravinder Abrol , William A. Goddard , Adam R. Griffith , Victor Wai Tak Kam
发明人： Ravinder Abrol , William A. Goddard , Adam R. Griffith , Victor Wai Tak Kam
IPC分类号： G06F19/00 , G01N33/68 , C07K14/705
摘要： A method for practical prediction of the three-dimensional structure of α-helical membrane proteins (HMPs) is described. The method allows one to predict the binding site and structure for strongly bound ligands. The method combines a protocol of computational methods enabling a complete ensemble of packings to be sampled and systematically reducing this ensemble to progressively more accurate structures until at the end there remain a few that might be functionally relevant and likely to play a role in all binding and activation processes. This method is well suited to automatic operation making it practical to obtain, for example, the ensemble of important structures for all human GPCRs. With this ensemble of all active GPCR structures in the human body, an infimum method is presented to maximize efficacy toward the selected target while minimizing binding to all other GPCRs to eliminate toxicity arising from cross-reacting with other GPCRs (a most common source of drug failure). This infimum method is broadly applicable to any set of proteins where a ligand is desired to be able to modulate the function of one protein while not affecting the function of other proteins.

9. 发明申请

US20110112818A1 METHODS FOR PREDICTION OF BINDING SITE STRUCTURE IN PROTEINS AND/OR IDENTIFICATION OF LIGAND POSES 审中-公开
标题翻译：预测蛋白质结合位点结构和/或识别配体位置的方法
公开(公告)号：US20110112818A1
公开(公告)日：2011-05-12
申请号：US12944692
申请日：2010-11-11
申请人： William A. GODDARD, III , Adam R. GRIFFITH , Ravinder ABROL , Ismet C. TANRIKULU
发明人： William A. GODDARD, III , Adam R. GRIFFITH , Ravinder ABROL , Ismet C. TANRIKULU
IPC分类号： G06G7/58
CPC分类号： G16B15/00
摘要： A method for modification and/or evaluation of ligand-protein and protein-protein systems is provided. Specifically, the method involves generating a final set of ligand or protein poses based on an initial set of ligand or protein poses. The method considers a variety of tools that can be applied to each pose. Energy scoring of each pose is performed based on results obtained from application of one or more of these tools. The design of the method allows for flexibility in which tools are used, the order in which they are used, and input parameters used for the different tools. This flexibility allows a user of the method to select a level of precision desired for a particular ligand-protein and protein-protein system that is being modified and/or evaluated.
摘要翻译：提供了配体 - 蛋白质和蛋白质 - 蛋白质系统的修饰和/或评价方法。具体地说，该方法包括基于配体或蛋白质姿势的初始集合产生最终的配体或蛋白质姿势集合。该方法考虑了可应用于每个姿势的各种工具。基于从应用这些工具中的一个或多个获得的结果来执行每个姿势的能量评分。该方法的设计允许使用哪些工具的灵活性，使用它们的顺序以及用于不同工具的输入参数。这种灵活性允许该方法的用户选择正在被修改和/或评估的特定配体 - 蛋白质和蛋白质 - 蛋白质系统所需的精确度。

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