基于味觉、嗅觉受体分子对接技术的中药性味物质基础研究的路径和方法

Approaches and methods of property-flavour material basis of Chinese materia medica based on molecular docking technology of taste and olfactory receptors

中药药性理论是中药理论的核心内容之一,其中五味理论又是中药药性理论的核心内容。中药五味药性的客观表征是中药药性理论研究的钥匙,是阐释传统中药药性理论科学内涵的重要路径。基于五味药性的基本定义以及药物分子-味觉、嗅觉受体的相互作用关系,提出基于分子对接技术的中药五味药性表征的技术方法和研究路径,并结合本课题组实验研究,从味觉、嗅觉感知的生物学机制、分子对接技术原理、同源模建过程以及受体选择与五味药性表达等方面进行系统论述,从中药"五味"的滋味、气味属性角度,为中药药性理论研究提供可参照的研究方法。

The theory on the property of Chinese materia medica（CMM） is one of the core contents of CMM theory, among which five flavors theory is the core content of CMM theory. The objective characterization of the five flavors of CMM is the key to the theoretical study of CMM, which is an important way to explain the scientific connotation of CMM. Based on the basic definition of five tastes medicinal properties and the interaction of drug molecules-taste, olfactory receptors, authors put forward the research methods using molecular docking technology and the research approach. In this study, the expression of five tastes drug property was systematically discussed from the aspects of biological mechanisms of taste, olfactory perception, molecular docking, homology modeling, and receptor selection, which provides a reference method for the study of drug property theory from the perspective of taste and smell attribute of five tastes.