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1. 发明申请

US20100112724A1 METHOD OF DETERMINATION OF PROTEIN LIGAND BINDING AND OF THE MOST PROBABLE LIGAND POSE IN PROTEIN BINDING SITE 审中-公开
标题翻译：蛋白质配体结合蛋白质结合位点和最可疑的配体位置的确定方法
公开(公告)号：US20100112724A1
公开(公告)日：2010-05-06
申请号：US12594845
申请日：2007-04-12
申请人： Dmitry Gennadievich Tovbin , Dmitry Nikolaevich Tarasov
发明人： Dmitry Gennadievich Tovbin , Dmitry Nikolaevich Tarasov
IPC分类号： G01N33/566
CPC分类号： G16C20/50 , G16B15/00
摘要： The present invention proposes a method of structural design, search and selection of potential medicinal compounds—ligands, comprising prognostication of the value of the protein ligand binding in terms of the score calculated with the help of the scoring function developed for scoring, and prognostication of the most probable ligand pose in the protein binding site in terms of the score calculated with the help of the scoring function developed for docking (the docking function). It is proposed to use two absolutely different scoring functions for docking and scoring. A special procedure is proposed for the development of docking function. Use of two absolutely different functions in the process of docking and scoring principally distinguishes the proposed method of predicting the binding affinity of ligand-protein interaction from all the known methods and makes it possible to substantially improve the quality of said prediction.
摘要翻译：本发明提出了一种结构设计，潜在的药物配体的搜索和选择方法，其中包括根据用于评分开发的评分功能计算得出的蛋白质配体结合值的预测，以及预测根据用于对接开发的评分功能（对接功能）计算得出的蛋白质结合位点中最可能的配体姿势。建议使用两个完全不同的评分功能进行对接和打分。提出了开发对接功能的特殊程序。在对接和评分过程中使用两个完全不同的功能主要区分了所提出的预测配体 - 蛋白质相互作用的结合亲和力与所有已知方法的方法，并且使得可以显着提高所述预测的质量。

2. 发明授权

US09708265B2 Urethanes, ureas, amidines and related inhibitors of factor Xa 有权
公开(公告)号：US09708265B2
公开(公告)日：2017-07-18
申请号：US13599038
申请日：2012-08-30
申请人： Dmitry Gennadievich Tovbin , Dmitry Nikolaevich Tarasov , Dimitry Viktorovich Malakhov
发明人： Dmitry Gennadievich Tovbin , Dmitry Nikolaevich Tarasov , Dimitry Viktorovich Malakhov
IPC分类号： A61K31/44 , A61K31/415 , C07D401/00 , C07D405/00 , C07D409/00 , C07D411/00 , C07D413/00 , C07D417/00 , C07D419/00 , C07D421/00 , C07D403/02 , C07D233/00 , C07D213/75 , A61K31/16 , A61K31/17
CPC分类号： C07D213/75 , A61K31/16 , A61K31/17
摘要： The invention relates to a new class of compounds, their pharmaceutically acceptable salts and pharmaceutically acceptable compositions that are effective as selective inhibitors of factor Xa, both in the isolated state and in a complex with other proteins. The compounds of the invention can be used for treating and preventing diseases, such as acute coronary syndrome, myocardial infarction, unstable angina, refractory angina, thromboses caused by post-thrombolytic therapy or coronary angioplasty, acute ischemia mediated cerebrovascular syndrome, embolic stroke, thrombotic stroke, and other diseases in humans and other mammals associated with blood coagulation problems.

3. 发明申请

US20130005778A1 URETHANES, UREAS, AMIDINES AND RELATED INHIBITORS OF FACTOR XA 有权
标题翻译： URETHANES，UREAS，AMIDINES和相关抑制因子XA
公开(公告)号：US20130005778A1
公开(公告)日：2013-01-03
申请号：US13599038
申请日：2012-08-30
申请人： Dmitry Gennadievich TOVBIN , Dmitry Nikolaevich TARASOV , Dimitry Viktorovich MALAKHOV
发明人： Dmitry Gennadievich TOVBIN , Dmitry Nikolaevich TARASOV , Dimitry Viktorovich MALAKHOV
IPC分类号： A61K31/44 , A61P11/00 , A61P9/10 , A61P7/02 , C07D213/89 , A61P9/00
CPC分类号： C07D213/75 , A61K31/16 , A61K31/17
摘要： The invention relates to a new class of compounds, their pharmaceutically acceptable salts and pharmaceutically acceptable compositions that are effective as selective inhibitors of factor Xa, both in the isolated state and in a complex with other proteins. The compounds of the invention can be used for treating and preventing diseases, such as acute coronary syndrome, myocardial infarction, unstable angina, refractory angina, thromboses caused by post-thrombolytic therapy or coronary angioplasty, acute ischemia mediated cerebrovascular syndrome, embolic stroke, thrombotic stroke, and other diseases in humans and other mammals associated with blood coagulation problems.
摘要翻译：本发明涉及一类新的化合物，其药学上可接受的盐和药学上可接受的组合物，其在分离状态下和与其它蛋白质的复合物中作为因子Xa的选择性抑制剂是有效的。本发明化合物可用于治疗和预防急性冠状动脉综合征，心肌梗死，不稳定型心绞痛，难治性心绞痛，溶栓后治疗或冠状动脉血管成形术引起的血栓形成，急性缺血性脑血管综合征，栓塞性中风，血栓形成中风和其他与血液凝固问题有关的哺乳动物的疾病。

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