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

Mingcheng Gong,Zhenhua Chen,Feng Gao,Liangliang Zhou,Wanqing Zou,Jianxin Cheng,Ilaria Fratoddi

doi:10.1155/2021/9556911

Abstract

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.

Highlights

In designing oral colon-targeted drug delivery systems, the dramatic changes in the medical environment are a major challenge, and efforts have been made to investigate new excipients to overcome the difficulties
Eudragit S100 maintains a nonionised state under acidic conditions and good hydrophobic properties, which help in coating the drug
In order to reproduce the process of dry mixing as much as possible, Pulsatilla saponins D (PSD) and Eudragit S100 beads were randomly dispersed in the boxes to form clusters

Summary

Introduction

In designing oral colon-targeted drug delivery systems, the dramatic changes in the medical environment are a major challenge, and efforts have been made to investigate new excipients to overcome the difficulties. Synthetic polymethacrylates can form a thin film coating on the surface of a drug to achieve controlled release. These nanopolymers are synthesised from distinct ratios of dimethylaminoethyl methacrylates, methacrylic acid, and methacrylic acid esters. Eudragit S100 maintains a nonionised state under acidic conditions and good hydrophobic properties, which help in coating the drug. Under alkaline conditions, it undergoes protonation and dissolves in water, gradually releasing the encapsulated drug [1]. It undergoes protonation and dissolves in water, gradually releasing the encapsulated drug [1] Due to these properties, Eudragit S100 is commonly used in the preparation of colon-targeted formulations

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