Hansch C, Telzer B R, Zhang L
Department of Chemistry, Pomona College, Claremont, CA 91711, USA.
Crit Rev Toxicol. 1995;25(1):67-89. doi: 10.3109/10408449509089887.
During the past 30 years, thousands of quantitative structure-activity relationships (QSAR) have been published for all sorts of chemicals acting on many forms of life or parts thereof (DNA, enzymes, organelles, etc.). Very little effort has been made to show the relationship among these equations. In this report, we discuss two examples, the toxicity of phenols to rats and the effect of aniline mustards on a variety of living systems, where the electronic effects in the QSAR can be correlated to QSAR from physical organic chemistry. This enables one to make better mechanistic deductions about the biological structure-activity relationships. From this, it is concluded that radicals formed from the phenols cause birth defects.
在过去30年里，针对作用于多种生命形式或其组成部分（DNA、酶、细胞器等）的各类化学物质，已发表了数以千计的定量构效关系（QSAR）。但在展示这些方程式之间的关系方面所做的工作极少。在本报告中，我们讨论两个例子，即酚类对大鼠的毒性以及苯胺氮芥对多种生命系统的影响，其中QSAR中的电子效应可与物理有机化学中的QSAR相关联。这使人们能够对生物构效关系做出更好的机理推断。由此得出结论，酚类形成的自由基会导致出生缺陷。
