title: Application of mesoscale simulation to explore the aggregate morphology of pH-sensitive nanoparticles used as the oral drug delivery carriers under different conditions.
abstract: The pH-sensitive nanoparticles are selected as the potentially promising oral protein and peptide drug carriers due to their excellent performance. With the poly (lactic-co-glycolic acid)/hydroxypropyl methylcellulose phthalate (PLGA/HP55) nanoparticle as a model nanoparticle, the structure-property relationship of nanoparticles with different conditions is investigated by dissipative particle dynamics (DPD) simulations in our work. In the oral drug delivery system, the poly (lactic-co-glycolic acid) (PLGA) is hydrophobic polymer, hydroxypropyl methylcellulose phthalate (HP55) is pH-sensitive enteric polymer which used to protect the nanoparticles through the stomach and polyvinyl alcohol (PVA) is hydrophilic polymer as the stabilizer. It can be seen from DPD simulations that all polymer molecules form spherical core-shell nanoparticles with stabilizer PVA molecules adsorbed on the outer surface of the PLGA/HP55 matrix at certain compositions. The DPD simulation study can provide microscopic insight into the formation and morphological changes of pH-sensitive nanoparticles which is useful for the design of new materials for high-efficacy oral drug delivery.
authors.affiliation: School of Chemical Engineering, Xiangtan University, Xiangtan 411105, PR China; Beijing Laboratory of Biomedical Materials, College of Materials Science and Engineering, Beijing University of Chemical Technology, Beijing, 100029, PR China.
authors.forename: Yan
authors.initials: Y
authors.lastname: Wang
authors.affiliation: Beijing Laboratory of Biomedical Materials, College of Materials Science and Engineering, Beijing University of Chemical Technology, Beijing, 100029, PR China.
authors.forename: Bo Zhi
authors.initials: BZ
authors.lastname: Chen
authors.affiliation: School of Chemical Engineering, Xiangtan University, Xiangtan 411105, PR China.
authors.forename: Yue Jin
authors.initials: YJ
authors.lastname: Liu
authors.affiliation: School of Chemical Engineering, Xiangtan University, Xiangtan 411105, PR China. Electronic address: xdwuzm@xtu.edu.cn.
authors.forename: Zhi Min
authors.initials: ZM
authors.lastname: Wu
authors.affiliation: Beijing Laboratory of Biomedical Materials, College of Materials Science and Engineering, Beijing University of Chemical Technology, Beijing, 100029, PR China. Electronic address: xdguo@buct.edu.cn.
authors.forename: Xin Dong
authors.initials: XD
authors.lastname: Guo
mesh_terms: D000284:Administration, Oral; D003198:Computer Simulation; D004337:Drug Carriers / Q000737:chemistry*; D006801:Humans; D006863:Hydrogen-Ion Concentration; D057927:Hydrophobic and Hydrophilic Interactions; D019344:Lactic Acid / Q000737:chemistry*; D008747:Methylcellulose / Q000031:analogs & derivatives* / Q000737:chemistry; D050997:Nanomedicine / Q000379:methods; D053758:Nanoparticles / Q000737:chemistry*; D010316:Particle Size; D011100:Polyglycolic Acid / Q000737:chemistry*; D000077182:Polylactic Acid-Polyglycolic Acid Copolymer; D013696:Temperature; D014867:Water / Q000737:chemistry
chemical_list: D004337:Drug Carriers; D014867:Water; D000077182:Polylactic Acid-Polyglycolic Acid Copolymer; D011100:Polyglycolic Acid; D019344:Lactic Acid; D008747:Methylcellulose; C053309:hydroxypropyl methylcellulose phthalate
keywords: Dissipative particle dynamics; Oral drug delivery; pH-sensitive nanoparticles