The Technology Application Of Self-assembly And Molecular Dynamic Simulation On The Artemisinin Bioavailability Study

Objectiv:In this paper, artemisinin was the research object. Artemisinin solid preparation and artemisinin ethanol solution preparation was prepared by searching the auxiliary and optimizing prescription. This paper would enhance the artemisinin bioavailability, improve its efficacy, overcome artemisinin poor water-solubility. And used the molecular simulation software to simulate the self-assembly process of molecules of artemisinin and asarone in ethanol solution, clarified self-assembly process in microcosmic level, tried to explore the application of the technology of the molecular dynamics simulation in the pharmacy.Method:To determine additive species in artemisinin solid preparation, artemisinin solid dispersion with the carrier of poloxamer would be mixied with different drug molecules or different solvents extraction parts of Artemisia annua. L. and compared artemisinin absorption of different preparations in mices. The mices would eated artemisinin solid preparation with different content of poloxamer by gavage, then compared artemisinin absorption of different preparations in mices and determined poloxamer content in artemisinin solid preparation. Artemisinin ethanol solution would be mixied with different drug molecules or different solvents extraction parts of Artemisia annua. L. and compared artemisinin absorption of different preparations in mices, then determined additive species in artemisinin ethanol solution preparation, Observed and studied the poloxamer influence in artemisinin absorption of mice in vivo and determined whether the poloxamer would be joined to ethanol solution preparation. Then the mises were respectively given the sample of artemisinin solid preparation, artemisinin ethanol solution preparation and reference preparation by gavage. Then calculated the preparation area under concentration-time curve and compared the bioavailability of different preparations.In the experimental process, observed the experimental phenomenon of artemisinin and asarone self-assembly in ethanol solution, established the model with the software of molecular simulation. Then the models of artemisinin and asarone ethanol solution would be simulated with technology of molecular dynamics simulation. The simulation results would be analyzed and explored the self-assembly process in microcosmic level. Result:In the end, the optimization prescription composition of artemisinin solid preparation was determined as below:artemisinin powder, anhydrous alcohol direct extracts of artemisia annua. L., poloxamer and residual Little ethanol. the optimization prescription composition of artemisinin ethanol solution preparation was determined as below:artemisinin powder, anhydrous alcohol final extracts of artemisia annua. L., poloxamer and anhydrous alcohol.The sample of artemisinin solid preparation, artemisinin ethanol solution preparation and reference preparation were given to the mices by gavage, then compared the every preparation bioavailability. When artemisinin administra-tion dosage was equal, the bioavailability of artemisinin solid preparation was 2.70 times of the reference preparation’s, the bioavailability of artemisinin ethanol solution preparation was 7.07 times of reference preparation’s, which showed that the bioavailability of tow kinds of preparations was higher than the reference preparation’s.Concentration profile and molecular trajectory in the simulated model were analyzed.The results show that the molecules of artemisinin and asarone in simulation system could get together under the established conditions. Conclusion:Artemisinin solid preparation and artemisinin ethanol solution preparation can effectively improve the artemisinin bioavailability. Poloxamer, ethanol and species of extraction have a influence on the oral absorption of artemisinin. The technology of molecular dynamics simulation is a approach to study artemisinin self-assembly process in Microcosmic Level and can be attempted to optimize preparation’s prescription in the pharmacy.