本文从中医的研究角度综述了系统生物学的定义、研究框架、范围和方法论特点, 并以PBPK和PBPD 研究为实例, 详述了系统生物学方法论在药学研究中的最新应用和进展, 阐明了系统生物学是还原论基础上的整体论。中医药是中医整体辩证理论指导下的复杂体系, 拟乘系统生物学之势将面对诸多基础问题的挑战, 然而中药ADME 性质的阐明将成为中医药系统生物学研究的基石, 从而将分子水平和整体水平有力地衔接起来。本文中同时简略地综述了作者研究组在该领域的有益尝试, 结果表明中药的早期ADME性质研究方法将是揭开中药之谜并过渡到系统生物学水平的有力手段。

Here we review the definition, research blueprint, and methodology of systems biology, as well as the recent applications and research progress of the related methods with regard to pharmaceutical researches, taking physiologically based pharmacokinetics (PBPK) and pharmacokinetic based pharmacodynamics (PBPD) studies as the examples. It is emphasized that systems biology is a kind of system theory with the reductionism as its solid foundation. TCM is a complex system under the guidance of holistic and dialectic philosophy of TCM, however, it is challenged by many fundamental questions with the implementation of systems biology. It is thought that the study of the ADME properties of herbal medicines would be the basis of the integrative study of TCM and systems biology, which bridge the studies of molecular level and organismal level. This review also briefly introduces the fruitful trials of the author's group in the abovementioned fields and suggests that the early ADME study of TCM is a powerful tool in elucidation of the riddle of TCM at the level of systems biology.

国家自然科学基金项目科学部主任基金(30640066): 基于探索P450 催化机制的计算机辅助P450 酶代谢位点预测研究, 负责人: 杨凌。