超分子化学角度研究麻杏石甘汤中多元组装体的形成及其抗病毒性肺炎机制

麻杏石甘汤，出自《伤寒论》，是治疗肺热咳喘的经典方剂。该方由麻黄、石膏、杏仁、甘草四味药材组成，无一味抗菌药，却有很好的抗菌消炎作用，现代医家常用于治疗小儿肺炎、麻疹性肺炎等各类肺炎疾病。实践表明其煎煮过程中会出现沉淀、胶体等显著的超分子自组装现象，但是目前很少有报道研究中药超分子现象的形成机制，更少有报道研究超分子组装体与其特殊药理活性的关联性。本项目将从超分子化学角度探究麻杏石甘汤产生抗病毒性肺炎作用的物质基础，通过量子化学计算、光谱法、量热法等超分子化学手段，研究主要活性成分组装形成多元组装体的机制；并且预测某一（群）超分子组装体是其抗病毒性肺炎的关键物质，阐明抗病毒机制。该项目为中药汤剂的药效研究开辟新的道路，从新的视角揭示超分子现象是中药复方的重要物质基础之一，诠释中药配伍理论的科学内涵，为中药复方新药的研究与开发提供一定的理论参考。

Ma-xing-shi-gan decoction (MXSGT), which comes from 《Treatise on Exogenous Febrile Disease》, is a classical prescription for the treatment of lung heat, cough and asthma. Its prescription is composed of ephedra, almond, liquorice and gypsum. There is no single antibiotic, but it has a good anti-bacterial and anti-inflammatory effect. Modern doctors are often used to treat children pneumonia, measles pneumonia and other pneumonia diseases. The practice shows that there are some remarkable self-assembly phenomena such as precipitation and colloid in the process of decocting, but there are few reports about the formation mechanism of self-assembly phenomenon, and less reports about the relationship between the supermolecular assembly and its special pharmacological activities. In this project, we will explore the material basis of MXSGT from the perspective of supramolecular self-assembly for antiviral pneumonia, and study the mechanism of the main active components assembling into the multi-component assembly by means of quantum chemical calculation, spectroscopy, calorimetry and other supramolecular chemical research methods; and predict that a certain (group) of supramolecular assembly is the key substance of its antiviral pneumonia, and clarify the antiviral mechanism. This project opens up a new way for the study of the efficacy of traditional Chinese medicine (TCM) decoction, and reveals that the supramolecular phenomenon is one of the important material bases of TCM from a new perspective. It also interprets the scientific connotation of compatibility theory, and provides certain theoretical reference for the research and development of new drugs on TCM.