中药活性成分的寻找和确定一直是中药药理学和中药化学研究的重点内容。本文根据中药化学成分与生物大分子发生亲和反应产生药理效应的原理，从数学角度提出寻找活性成分的方法。通过计算亲和常数来衡量各化学成分的亲和力，亲和力较大者为可能的活性成分。随后以灯盏细辛为例初步说明本方法应用的可行性，并发现8个峰（成分）是作用于血小板可能的成分，其中7号峰被指认为isochlorogenic acid B。本法的应用有望为中药活性成分的寻找提供新的策略。%How to screen out the active components in Chinese Materia Medica is stil the hot topic in the research fields of pharmacology of Chinese Materia Medica and Chinese pharmaceutical chemistry. This paper provided a method to tract the active components based on the principle that a chemical component is not able to take ef ect without binding to a biomolecule. By calculating af inity constant of the components, the method can use the value to evaluate the af inity of a chemical component in Chinese Materia Mmedica. Then, it can be deduced that a chemical component bound to biomolecules from a likely target tissue (organ or cell) more strongly could be a more likely active component for the tissue (organ or cell). The method was applied to screen active components in Erigeron breviscapus, and found 8 likely anti-platelet components, one of which was identified as isochlorogenic acid B. Therefore, this method may provide a new strategy for screening active ingredients from Chinese Materia Medica.
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