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Wu, Lei-Shu; McCormick, Timothy; Chang, Rong‐Kun; Pang, Josephine; McCummings, Tom; Ramos, Miriam; Hussain, Munir

doi:10.1023/a:1011916723251

Cited by 4 publications

(1 citation statement)

References 4 publications

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“…The search on novel polymeric materials capable of acting as selective and efficient traps is mostly based on the optimization of hydrophobic and ionic interactions [8][9][10][11].…”

Section: Introductionmentioning

confidence: 99%

Computational modeling and molecular imprinting for the development of acrylic polymers with high affinity for bile salts

Yáñez

Chianella

Piletsky

et al. 2010

Analytica Chimica Acta

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This work has focused on the rational development of polymers capable of acting as traps of bile salts. Computational modeling was combined with molecular imprinting technology to obtain networks with high affinity for cholate salts in aqueous medium. The screening of a virtual library of 18 monomers, which are commonly used for imprinted networks, identified N-(3-aminopropyl)-methacrylate hydrochloride (APMA.HCl), N,N-diethylamino ethyl methacrylate (DEAEM) and ethyleneglycol methacrylate phosphate (EGMP) as suitable functional monomers with medium-to-high affinity for cholic acid. The polymers were prepared with a fix cholic acid:functional monomer mole ratio of 1:4, but with various cross-linking densities. Compared to polymers prepared without functional monomer, both imprinted and non-imprinted microparticles showed a high capability to remove sodium cholate from aqueous medium. High affinity APMA-based particles even resembled the performance of commercially available cholesterol-lowering granules. The imprinting effect was evident in most of the networks prepared, showing that computational modeling and molecular imprinting can act synergistically to improve the performance of certain polymers. Nevertheless, both the imprinted and non-imprinted networks prepared with the best monomer (APMA.HCl) identified by the modeling demonstrated such high affinity for the template that the imprinting effect was less important. The fitting of adsorption isotherms to the Freundlich model indicated that, in general, imprinting increases the population of high affinity binding sites, except when the affinity of the functional monomer for the target molecule is already very high. The cross-linking density was confirmed as a key parameter that determines the accessibility of the binding points to sodium cholate. Materials prepared with 9% mol APMA and 91% mol cross-linker showed enough affinity to achieve binding levels of up to 0.4 mmol g(-1) (i.e., 170 mg g(-1)) under flow (1 mL min(-1)) of 0.2 mM sodium cholate solution.

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“…The search on novel polymeric materials capable of acting as selective and efficient traps is mostly based on the optimization of hydrophobic and ionic interactions [8][9][10][11].…”

Section: Introductionmentioning

confidence: 99%

Computational modeling and molecular imprinting for the development of acrylic polymers with high affinity for bile salts

Yáñez

Chianella

Piletsky

et al. 2010

Analytica Chimica Acta

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In Vitro Drug Release Testing and In Vivo/In Vitro Correlation for Long Acting Implants and Injections

Kastellorizios

Burgess

2011

Long Acting Injections and Implants

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An advantage of long acting implants and injections is their ability to maintain a relatively constant drug concentration at the site of interest. In vitro drug release testing, particularly where an in vivo / in vitro relationship has been established, can help in ensuring in vivo performance. There are various in vitro release testing methods, which are chosen, based on availability, dosage form specifi cations and drug properties. These are categorized into three groups: sample and separate, fl ow-through and dialysis. Although there are currently no standard methods for in vitro release testing of controlled release parenterals, standard dissolution apparatus specifi ed by the United States Pharmacopeia have been adapted in some cases and the development of compendial monographs is anticipated. An in vivo / in vitro correlation can predict the bioavailability characteristics of a product based on release in vitro .

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Development of a mechanism and an accurate and simple mathematical model for the description of drug release: Application to a relevant example of acetazolamide-controlled release from a bio-inspired elastin-based hydrogel

Fernández‐Colino

Bermúdez

Arias

et al. 2016

Materials Science and Engineering: C

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Transversality between mathematical modeling, pharmacology, and materials science is essential in order to achieve controlled-release systems with advanced properties. In this regard, the area of biomaterials provides a platform for the development of depots that are able to achieve controlled release of a drug, whereas pharmacology strives to find new therapeutic molecules and mathematical models have a connecting function, providing a rational understanding by modeling the parameters that influence the release observed. Herein we present a mechanism which, based on reasonable assumptions, explains the experimental data obtained very well. In addition, we have developed a simple and accurate “lumped” kinetics model to correctly fit the experimentally observed drug-release behavior. This lumped model allows us to have simple analytic solutions for the mass and rate of drug release as a function of time without limitations of time or mass of drug released, which represents an important step-forward in the area of in vitro drug delivery when compared to the current state of the art in mathematical modeling. As an example, we applied the mechanism and model to the release data for acetazolamide from a recombinant polymer. Both materials were selected because of a need to develop a suitable ophthalmic formulation for the treatment of glaucoma. The in vitro release model proposed herein provides a valuable predictive tool for ensuring product performance and batch-to-batch reproducibility, thus paving the way for the development of further pharmaceutical devices.

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Untitled

Cited by 4 publications

References 4 publications

Computational modeling and molecular imprinting for the development of acrylic polymers with high affinity for bile salts

Computational modeling and molecular imprinting for the development of acrylic polymers with high affinity for bile salts

In Vitro Drug Release Testing and In Vivo/In Vitro Correlation for Long Acting Implants and Injections

Development of a mechanism and an accurate and simple mathematical model for the description of drug release: Application to a relevant example of acetazolamide-controlled release from a bio-inspired elastin-based hydrogel

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