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[交流] 【讨论】模拟醛类化合物抑制大肠杆菌生长时蛋白如何选择

模拟醛类化合物抑制大肠杆菌生长时蛋白如何选择

1、实验:醛类化合物做为毒物,加入含有大肠杆菌的溶液中,以DO为反应终点,染毒时间15min, 得到一系列的EC50.
2、拟用分子模拟计算Ebinding, 对机理进行解释。
3、问题: 应该选择哪一种蛋白做为对接目标?相关文献提到大肠菌中与氧呼吸有关的酶有多种:包括SOD\alkaline phosphatase\脱氢酶等好多种。也有一些与金属离子结合的酶,但找不到与醛类化合物结合的酶。想请问一下,这种情况怎么选择对接蛋白。谢谢!

[ Last edited by ghcacj on 2010-11-23 at 19:44 ]
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