Hydrogen Bonding, Hydrophobic Interactions, and Failure of the Rigid Receptor Hypothesis.
Hydrogen Bonding, Hydrophobic Interactions, and Failure of the Rigid Receptor Hypothesis.
复制标题
DOI：
10.1002/(sici)1521-3773(19990315)38:6
复制
发表时间：
1999-03
影响因子：
--
通讯作者：
A. Davis;S. Teague
中科院分区：
文献类型：
--
作者：
A. Davis;S. Teague
为什么对药物受体复合物结构的实验测定常常会带来意想不到的结果？讨论了氢键和疏水相互作用在药物受体结合中的重要性。疏水相互作用得到太少的考虑，从大多数分子建模包。它们在刚性受体假说失败中的作用和对药物设计的影响被考虑。
Why does experimental determination of the structure of drug-receptor complexes so often result in surprises? The importance of hydrogen bonding and hydrophobic interactions in drug receptor binding is discussed. Hydrophobic interactions receive too little consideration from most molecular modeling packages. Their role in the failure of the rigid receptor hypothesis and the implications for drug design are considered.