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以线性自由能相关方法处理药物的化学结构与其生物效应间的定量关系(OSAR),是熟知的Hansch分析法。其基本依据是,药物在体内的转运过程和与受体的相互作用是药物分子与生物大分子间的物理和化学作用,这些作用力可用原子团或分子的某些影响热力学参数的性质以数值的形式,通过线性组合加以表示。自1963年Hansch开创这一领域以来,有关研究论文、综述及专著之多,涉及内容之广,表明该法日益为药物化学家和药物设计者感兴趣。本文不拟对Hansch法和由此派生的类似方法作全面评述,只对近年来这一领域的某些进展和在QSAR方法中具有重要意义的问题,作一简要评介。
The quantitative relationship between the chemical structure of a drug and its biological effect (OSAR) is dealt with by the linear free energy correlation method and is a well-known Hansch analysis. Its basic basis is that the drug transport process in the body and the interaction with the receptor is a physical and chemical interaction between drug molecules and biological macromolecules, these forces can be atomic groups or molecules of some of the properties that affect the thermodynamic parameters to numerical Form, expressed by a linear combination. Since Hansch pioneered this field in 1963, the wide range of research papers, reviews and monographs involved shows that the law is increasingly interested in medicinal chemists and drug designers. This article does not intend to make a comprehensive review of the Hansch method and similar methods derived therefrom, and only makes a brief review of some of the advances in this field in recent years and the issues of importance in the QSAR method.