The Use Of An Integrated Chemical-,ecological-and Virtual Screened-based Approach For Quality Ecology In Cynomorium Songaricum

The quality variation of Chinese herbal medicine quality is the result of its own genetic variation and the long-term natural selection of species for the ecological environment.Among them,the environmental factor is the ecological mechanism of the difference in the quality of Chinese herbal medicines,which is the main external condition affecting the quality variation of Chinese herbal medicines,which leads to the accumulation of the internal active ingredients of Chinese herbal medicines,and the quality is uneven.This paper applied chemistry-ecological-virtual screened correlation analysis,through metabolomics technology,MaxEnt and Geographic Information System for Global Medicinal Plants(GMPGIS),high-throughput sequencing technology and molecular docking virtual screening technology,comprehensive exploration the quality variation mechanism of C.songaricum and the pharmacodynamic substance basis of six diseases,the main research conclusions are as follows:1.The quality variation analysis of C.songaricum showed that there were significant differences in the content of C.songaricum metabolites in different parts,different localities and different habitats.The difference of ursolic acid content is Ningxia fleshy stem>inflorescence;Ningxia fleshy stem>Xinjiang fleshy stem;Xinjiang desert steppe habitats>Xinjiang saline-alkali land habitats.In addition,the metabolites with significant differences among different parts,different habitats and different habitats were secondary metabolites.The number of different metabolites was different in different parts>different localities>different habitats,which were 280,236 and 146 respectively.Functional rich annotation and enrichment analysis showed that they were mainly concentrated on metabolic pathways,biosynthesis of secondary metabolites and microbial metabolic pathways in different environments.16S DNA analysis of rhizosphere soil microbial diversity in three C.songaricum habitats of saline-alkali land,sandy desert and desert steppe was carried out by high-throughput sequencing technology.It was found that C.songaricum has high soil microbial community diversity under three habitats.There are certain differences in the diversity between different habitats.The microbial diversity of the sandy desert is the most abundant,followed by the desert steppe,and the saline-alkali land diversity is the lowest.At the classification level of the class,the y-proteobacteria is the most dominant class.In the classification level of the family is the genus Halobacter.The MaxEnt and GMPGIS prediction models were used to study the potential suitable habitats and ecological factors of C.songaricum,It is believed that China,Tajikistan and the United States are potential ecologically suitable areas for the growth of C.songaricum,and artificial introduction experiments can be carried out in countries such as kyrgyzstan and Argentina.The climatic factors such as the mean rainfall in the coldest season and the mean temperature in the coldest season have a great influence on the growth of C.songaricum.2.The major secondary metabolites detected by the metabolomics of C.songaricum are used on molecular docking,it was found that C.songaricum contains potential active components against six diseases,such as human immunodeficiency virus type I,Alzheimer’s disease,2-diabetes and atherosclerosis,etc.The scoring value of most of the active ingredients is superior to the disease-positive drugs which were already on the market.This will provide potential lead compounds for the development of new drugs.In addition,the database of metabolites and scores of molecular docking was built,which is beneficial to the data management,sharing and in-depth study of C.songaricum.