Mesoscale Simulation of Drug Molecules Distribution in the Matrix of Konjac Glucomannan (KGM) at Varying Drug Concentrations
Dissipative particle dynamics (DPD) is used in this work to simulate the distribution of carmustine (BCNU) molecules in konjac glucomannan (KGM) as potential drug carrier.It is shown from DPD simulation that the aggregated morphology of KGM differs at varying BCNU concentration levels.At 1 mol % of BCNU the phase aggregates as spherical particles,and at 5 mol%of BCNU,some BCNU molecules were partially uncovered by KGM molecules due to high drug concentration.However,even at higher concentration,most of the BCNU molecules are distributed in the inner area of the matrix,indicating that KGM interacts with BCNU well and it is a promising drug carrier for BCNU in water.DPD simulations may provide a powerful tool for designing drug delivery systems.
Dissipative particle dynamics simulation Drug release konjac glucomannan(KGM)
Lei Pang Chi Zhang Dahuan Liu Chongli Zhong Xuegang Luo Xiaoyan Lin
Engineering Research Center of Biomass Materials,Ministry of Education,China;Southwest University of Laboratory of Computational Chemistry,Department of Chemical Engineering,Beijing University of Chemi
国际会议
the Asian Workshop on Polymer Processing 2011(2011高分子加工技术亚洲研讨会(AWPP2011))
青岛
英文
202-207
2011-11-04（万方平台首次上网日期，不代表论文的发表时间）