发明名称 |
SYSTEMS AND METHODS OF SELECTING COMPOUNDS WITH REDUCED RISK OF CARDIOTOXICITY |
摘要 |
Provided herein are systems and methods for selecting compounds that have reduced risk of cardiotoxicity or which are not likely to be cardiotoxic. As an example, a system and method can include a computational dynamic model combined with a high throughput screening in silico that mimics one of the most important ion channels associated with cardiotoxicity, namely the human Ether-a-go-go Related Gene (hERG) channel. Also provided herein are systems and methods for redesigning compounds that are predicted to be cardiotoxic based on the model and the high throughput screening. |
申请公布号 |
EP3080740(A1) |
申请公布日期 |
2016.10.19 |
申请号 |
EP20140868747 |
申请日期 |
2014.12.12 |
申请人 |
THE GOVERNORS OF THE UNIVERSITY OF ALBERTA |
发明人 |
HOUGHTON, MICHAEL;TUSZYNSKI, JACK A.;BARAKAT, KHALED;MOHAMED, ANWAR |
分类号 |
G06F19/12;C07K14/705;C12Q1/00;C12Q1/70;C40B30/02;G01N33/15;G06F19/16;G06F19/24 |
主分类号 |
G06F19/12 |
代理机构 |
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代理人 |
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主权项 |
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地址 |
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