一般药物设计过程均以一已知生物活性分子为先导化合物,然后通过对基团或具生物功能的部分作结构修饰,增强该化合物所希望的生物活性。如能鉴别和活性有关的结构部分,该法:是极为成功的。近来,药物设计也涉及到一些其它类型的考虑,即改进药物的释放、分布和药物动力学性质。然而在一般药物设计过程中,却很少或根本不注意药物的代谢处置。尽管许多生物活性分子或药物,其毒性是由于设计过程中引入的新的结构特点造成的,情况仍是这样。这是指可能有毒的代谢物,或者在得到活性较大的化合物时通常会进一步增强不良的药物动力学性质。一般认为,药物尤其是它们的代谢过程, The general drug design process uses a known bioactive molecule as the lead compound and then enhances the desired bioactivity of the compound by structurally modifying the group or the biologically functional moiety. The law is extremely successful when it comes to identifying structures that are related to activity. Recently, drug design has also involved a number of other types of considerations that improve the release, distribution and pharmacokinetic properties of the drug. However, in the general drug design process, little or no attention is paid to the metabolic treatment of the drug. This is still the case despite the fact that many bioactive molecules or drugs whose toxicity is caused by the new structural features introduced during the design process. This refers to potentially toxic metabolites, or often further deleterious pharmacokinetic properties when larger active compounds are obtained. Generally believed that drugs, especially their metabolic processes,