Thinking and method of "Combinatorial Screening" based on complex systems principle for active components of Chinese materia medica compound / 中草药

ABSTRACT

According to two theories,which are "traditional Chinese medicine researching is in the face of a complex opening gigantic system" and "Chinese materia medica compound(CMMC) is the natural combinatorial chemical libraries",the study on active fractions of CMMC has been facing to a complex system with a large number of data that is non-linear,multi-variable,and varieties related to each other.The thinking and method of "combinatorial screening" has been put forward based on these two theories,that is the principle "using the diverse structures of molecules to simulate the diverse organism" used in combinatorial chemistry and the data mining technique was taken into the study on complex system of CMMC.In order to create combinatorial libraries,the two methods were used to obtain the fractions of CMMC.Re-combination group of the CMMC was used,and various industrial separation techniques, such as resin,membrane,were used to replace the diversity of chemosynthesis routes to create "Building Block".Through data mining and knowledge discovery, the intrinsic correlation of CMMC "multi-components and multi-targets" between the chemical composition and the mechanism was carried out.The new technologies which aim at high-throughput screening of CMMC were explored,in order to provide the evidence for setting up an idea with "optimal separation" and optimization design about application system of refining technology.