基本信息:
- 专利标题： 약물의 대사 안정성 예측에 관한 정보제공방법
- 专利标题（英）：Method of providing information for predicting metabolic stability
- 专利标题（中）：提供信息预测代谢稳定性的方法
- 申请号：KR1020110015922 申请日：2011-02-23
- 公开(公告)号：KR1020120096691A 公开(公告)日：2012-08-31
- 发明人： 남기엽 , 정승화 , 오원석 , 장병하 , 노경태
- 申请人： 사단법인 분자설계연구소
- 申请人地址： 서울특별시 서대문구 연세로 **, 연세대학교 연세공학원 B***A호 (신촌동)
- 专利权人： 사단법인 분자설계연구소
- 当前专利权人： 사단법인 분자설계연구소
- 当前专利权人地址： 서울특별시 서대문구 연세로 **, 연세대학교 연세공학원 B***A호 (신촌동)
- 代理人： 김문재; 특허법인 남앤드남; 권형중; 이종승
- 主分类号： G06F19/00
- IPC分类号： G06F19/00 ; G06F17/10
摘要：
PURPOSE: A method of providing information for predicting metabolic stability of a drug is provided to predict a Km and Vmax value of aliphatic hydroxylation reaction, aromatic hydroxylation reaction, N-dealkylation reaction, and O-dealkylation reaction, thereby improving accuracy of metabolic stability prediction of a drug with time. CONSTITUTION: A first and fifth equation of a compound and a descriptor of the first and fifth equation are calculated. A Km value of aliphatic hydroxylation reaction is predicted by using the descriptor of the first equation and the first equation. A Vmax value of aliphatic hydroxylation reaction is predicted by using the descriptor of the fifth equation and the fifth equation. A concentration of a compound with time is calculated by using a ninth equation.
摘要（中）：
目的：提供一种提供预测药物代谢稳定性信息的方法，以预测脂肪族羟基化反应，芳香羟基化反应，N-脱烷基化反应和O-脱烷基化反应的Km和Vmax值，从而提高代谢稳定性预测的准确性 的药物。 构成：计算第一和第五方程式的化合物和描述符的第一和第五方程。 通过使用第一方程式和第一方程的描述符来预测脂族羟基化反应的Km值。 通过使用第五方程式和第五方程的描述符来预测脂族羟基化反应的Vmax值。 通过使用第九方程计算具有时间的化合物的浓度。
公开/授权文献:
- KR101275612B1 약물의 대사 안정성 예측에 관한 정보제공방법 公开/授权日：2013-06-17