文献类型：期刊文献

英文题名：Application of Mesoscale Simulation to Explore the pH Response of Eudragit S100 Used as the Novel Colon-Targeted Powder of Pulsatilla Saponin D

作者：Gong, Mingcheng[1];Chen, Zhenhua[1];Zhou, Liangliang[1];Gao, Feng[2];Cheng, Jianxin[1];Zou, Wanqing[1]

机构：[1]Jiangxi Sci & Technol Normal Univ, Sch Pharm, Nanchang 330013, Peoples R China;[2]East China Univ Sci & Technol, Sch Pharm, Shanghai 200237, Peoples R China

年份：2021

卷号：2021

外文期刊名：JOURNAL OF NANOMATERIALS

收录：;EI(收录号：20222312205001);WOS:【SCI-EXPANDED(收录号:WOS:000804129600001)】；

基金：AcknowledgmentsThe work was supported by the Natural Science Foundation Youth Project (grant number 81703716), grant of Natural Science Foundation of Jiangxi Province (grant number 20202BABL206151), Youth Talents Project of Jiangxi Science and Technology Normal University (grant number 2017QNBJRC006), and National Undergraduate Training Program for Innovation (grant number 202011318003).

语种：英文

外文关键词：Controlled drug delivery - Micelles - Molecular dynamics - Particle dynamics - pH - Targeted drug delivery

摘要：As a pH-sensitive nanomaterial, Eudragit S100 has good colon targeting. However, little research has been carried out on its mesoscopic scale. In this paper, the self-assembly behavior of Pulsatilla saponins D (PSD) and Eudragit S100, as well as the loading and release mechanism of PSD, was investigated via computer simulations. The effects of the self-assembly characteristics of PSD and Eudragit S100 in the dry powder state on the drug-carrier ratio were explored by the coarse-grained molecular dynamics (CGMD) method. According to the pH-responsive feature of Eudragit S100, the drug protection under gastric pH conditions and release in colonic pH conditions were simulated through the dissipative particle dynamics (DPD) method, which has provided insights into the microscopic morphological changes in the pH-sensitive drug delivery systems.