title: Excipient-assisted vinpocetine nanoparticles: experiments and molecular dynamic simulations.
abstract: Hydrophilic excipients can be used to increase the solubility and bioavailability of poorly soluble drugs. In this work, the conventional water-soluble pharmaceutical excipients hydroxypropylmethylcellulose (HPMC), polyvinylpyrrolidone (PVP), and lactose (LAC) were used as solid supports to prevent drug nanoparticles from aggregation and enhance drug dissolution. Excipient-assisted vinpocetine (VIN) nanoparticles were prepared by reactive precipitation. The analysis results indicated that HPMC was a suitable excipient to prepare VIN nanoparticles. VIN/HPMC nanoparticles had a mean size of 130 nm within a narrow distribution. The dissolution rate of VIN nanoparticles was significantly faster than those of a physical mixture of VIN/HPMC and raw VIN. VIN/HPMC nanoparticles had a higher dissolution profile than VIN/PVP and VIN/LAC nanoparticles. Besides, molecular dynamics (MD) simulation was applied to investigate the molecular interactions between VIN and excipients. The calculated results revealed that VIN interacted with excipients by Coulomb and Lennard-Jones (LJ) interactions. Few hydrogen bonds were formed between VIN and excipients. The HPMC affording smaller particle size may be a result of the stronger interactions between VIN and HPMC (mainly LJ interaction) and the property of HPMC. These characteristics may greatly influence the adsorption behavior and may be the crucial parameter for the better performance of HPMC.
authors.affiliation: State Key Laboratory of Organic-Inorganic Composites, Beijing University of Chemical Technology , Beijing 100029, P. R. China.
authors.forename: Cai-Xia
authors.initials: CX
authors.lastname: Li
authors.forename: Hao-Bo
authors.initials: HB
authors.lastname: Wang
authors.forename: Daniel
authors.initials: D
authors.lastname: Oppong
authors.forename: Jie-Xin
authors.initials: JX
authors.lastname: Wang
authors.forename: Jian-Feng
authors.initials: JF
authors.lastname: Chen
authors.forename: Yuan
authors.initials: Y
authors.lastname: Le
mesh_terms: D001682:Biological Availability; D002152:Calorimetry, Differential Scanning; D002626:Chemistry, Pharmaceutical; D005079:Excipients / Q000737:chemistry*; D006801:Humans; D057927:Hydrophobic and Hydrophilic Interactions; D008855:Microscopy, Electron, Scanning; D008958:Models, Molecular; D056004:Molecular Dynamics Simulation; D053758:Nanoparticles / Q000737:chemistry*; D012995:Solubility; D014665:Vasodilator Agents / Q000737:chemistry*; D014748:Vinca Alkaloids / Q000737:chemistry*; D014867:Water / Q000737:chemistry*; D014961:X-Ray Diffraction
chemical_list: D005079:Excipients; D014665:Vasodilator Agents; D014748:Vinca Alkaloids; D014867:Water; C013983:vinpocetine
keywords: excipient; interaction; molecular dynamics; reactive precipitation; vinpocetine nanoparticles