中药“宏观药性”假说与组分药性数字模拟研究

摘要

中药“宏观药性假说”认为:寒热药性是中药物质的宏观属性,中药的部位、单元、组分或成分皆有药性.中药寒热药性有宏观与微观之分,宏观药性是中药整体的寒热属性:而微观药性是中药部位、单元、组分或成分的寒热之性,且同一中药普遍存在寒热药性相反的物质成分.中药的宏观药性是其各物质成分之间微观药性交互作用而综合“呈现”的结果,宏观药性值取决于所含各种药性成分的微观药性贡献力.基于中药宏观药性假说,将中药“系统分离”为若干相对独立的物质单元,以各“物质单元”的“微观药性贡献力”作为矩阵元素,构建寒热药性判别矩阵,可以实现对中药“物质单元”药性的预先理论判别,进而探讨中药药性理论研究与中药组分配伍新药发现相偶联的研发模式.%Hypotheses of macroscopic drug nature (macro-DN) of traditional Chinese medicine (TCM) believed that cold-hot drug nature was a macroscopic attribute of a TCM drug, and the fractions, units, constituents, or components separated from a TCM drug had their own drug nature. The cold-hot drug nature of TCM had the distinction of micro-cosmic and macroscopic, which the macro-DN was the holistic attribute of the cold-hot drug nature of a TCM drug, while the micro drug nature (micro-DN) was the cold-hot drug nature of the fraction, unit, constituent, or component of a TCM drug. Material compositions with reverse drug nature were commonly existed in a same TCM drug. Macro-DN was the comprehensive presentation of all kinds of interactions of micro-DN among the material compositions in a TCM drug, and the value of macro-DN was decided by the contribution ability to micro-DN of each component in a TCM drug. Based on the hypotheses of macro-DN, a TCM drug was systematic separated into many independent constituents, and a judgment matrix for cold-hot drug nature was established using the contribution ability to micro-DN of each independent constituent as the matrix element. Applying such a matrix, the cold-hot nature of a constituent in a TCM drug can be pre -judged, and a new drug discovery research pattern of constituent compatibility of TCM drug coupled with the research of Properties Theory of Chinese Medicinal Herbs can be established.