Research On Dissipative Particle Dynamics Simulation Of Madecassoside Liposomes

Madecassoside liposomes can be used to treat skin trauma such as surgical trauma,scald,burn,etc.,and possess liposomes to penetrate the skin quickly.Liposome is an artificial biological membrane with phospholipid bilayer structure,with a lot of systematic drug-loading liposome technology research,however liposome drug delivery system of micro/study on the relationship between the mesoscopic structure – performance is rare.This study combines the madecassoside liposome preparation experiment process,by using theoretical analysis method and molecular simulation methods,respectively from the angles of molecular dynamics and dissipative particle dynamics is discussed for the forming mechanism of liposome,investigates the composition of liposome on drug delivery system,microscopic and mesoscopic structure,and the influence of the liposome drug delivery system are studied for the relationship between the structure and performance of micro/mesoscopic and changing rule,to optimize design of liposome drug delivery system.In liposomal drug delivery system,the compatibility of drug and carrier materials has a crucial influence on the molecular structure of the system,the quantity,stability and release ability of drugs.By using molecular dynamics method,this study combined with Flory Huggins theory to simulated drug carrier and their solubility parameters,predict the blend properties of drugs with different carrier materials,further screening get appropriate dosage of liposomes material and prescription.The results showed that the drug madecassoside was better compatible with the DPPC.By using dissipative particle dynamics simulation method(dissipative particle dynamics,DPD),we discussed that the liposomes carrier of drug delivery system components impact on structure and performance of liposomes.DPD simulation can directly reflect the the micro/mesoscopic process and phenomenon what experimental measurement cannot reveal,and clarify formation mechanism and performance of the liposomes carrier of drug delivery system structure effectively,help to predict and evaluate the experiment process and results,the system composition and preparation process selection and optimization,constantly as the foundation of experimental design.The result showed that when the dosage of the components Water:DPPC:MA was 10:2:0.1,there was a good mixing performance between the drug and the carrier.This study use molecular dynamics simulation and dissipative particle dynamics simulation technology respectively for experimental design theory and the optimization of the research for liposome drug delivery system,the mesoscopic simulation method is used to study the carrier material and drug interactions,drug distribution in liposome,to accelerate the development and pharmaceutical preparations.Molecular dynamics simulation and dissipative particle dynamics simulation technology application in the field of drug research and development has very high application value,is advantageous to the development of new technology of pharmaceutical preparations,provides new research means for the theoretical research of pharmaceutical preparations.