title: A novel pH-responsive interpolyelectrolyte hydrogel complex for the oral delivery of levodopa. Part I. IPEC modeling and synthesis.
abstract: This study was undertaken to synthesize an interpolyelectrolyte complex (IPEC) of polymethacrylate (E100) and sodium carboxymethylcellulose (NaCMC) to form a polymeric hydrogel material for application in specialized oral drug delivery of sensitive levodopa. Computational modeling was employed to proffer insight into the interactions between the polymers. In addition, the reactional profile of NaCMC and polymethacrylate was elucidated using molecular mechanics energy relationships (MMER) and molecular dynamics simulations (MDS) by exploring the spatial disposition of NaCMC and E100 with respect to each other. Computational modeling revealed that the formation of the IPEC was due to strong ionic associations, hydrogen bonding, and hydrophilic interactions. The computational results corroborated well with the experimental and the analytical data.
authors.affiliation: Wits Advanced Drug Delivery Platform Research Unit, Department of Pharmacy and Pharmacology, School of Therapeutic Sciences, Faculty of Health Sciences, University of the Witwatersrand, Johannesburg, 7 York Road, Parktown, 2193, South Africa.
authors.forename: Ndidi C
authors.initials: NC
authors.lastname: Ngwuluka
authors.forename: Yahya E
authors.initials: YE
authors.lastname: Choonara
authors.forename: Pradeep
authors.initials: P
authors.lastname: Kumar
authors.forename: Lisa C
authors.initials: LC
authors.lastname: du Toit
authors.forename: Riaz A
authors.initials: RA
authors.lastname: Khan
authors.forename: Viness
authors.initials: V
authors.lastname: Pillay
mesh_terms: D000284:Administration, Oral; D015259:Dopamine Agents / Q000737:chemistry / Q000493:pharmacokinetics / Q000494:pharmacology; D016503:Drug Delivery Systems; D020100:Hydrogels / Q000138:chemical synthesis / Q000737:chemistry / Q000493:pharmacokinetics / Q000494:pharmacology; D006863:Hydrogen-Ion Concentration; D007980:Levodopa / Q000737:chemistry / Q000493:pharmacokinetics / Q000494:pharmacology; D008956:Models, Chemical; D011109:Polymethacrylic Acids / Q000138:chemical synthesis / Q000737:chemistry / Q000493:pharmacokinetics / Q000494:pharmacology
chemical_list: D015259:Dopamine Agents; D020100:Hydrogels; D011109:Polymethacrylic Acids; C030613:polymethacrylic acid; D007980:Levodopa
keywords: controlled release; drug delivery; hydrogel; interpolyelectrolyte complex; levodopa molecular mechanics; methacrylic acid copolymer; sodium carboxymethylcellulose