Experimental partition determination of octanol-water coefficients of ferrocene derivatives using square wave voltammetry techniques

Ahmedi, R.; Lanez, Touhami

doi:10.4314/jfas.v10i1.23

Cited by 2 publications

(2 citation statements)

References 11 publications

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“…CP diffusivity in the hydrophobic dispersed phase (D disp ) was estimated from values for the diffusivity of ferrocene derived from cyclic voltammetry measurements in microemulsions of similar hydrophobic phase composition [22]. Ferrocene, with logP ~ 2.66 [23], partitions preferentially into the dispersed phase so that the derived diffusion coefficients are thought to be representative of that phase. To obtain a value of D disp for CP in Dermovate cream, we scaled the ferrocene value by the ratio of hydrodynamic radii for the two molecules.…”

Section: Model Input Parametersmentioning

confidence: 99%

Predicting Human Dermal Drug Concentrations Using PBPK Modeling and Simulation: Clobetasol Propionate Case Study

van Osdol,

Novakovic,

Le Merdy

et al. 2024

AAPS PharmSciTech

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Quantitative in silico tools may be leveraged to mechanistically predict the dermato-pharmacokinetics of compounds delivered from topical and transdermal formulations by integrating systems of rate equations that describe permeation through the formulation and layers of skin and pilo-sebaceous unit, and exchange with systemic circulation via local blood flow. Delivery of clobetasol-17 propionate (CP) from DermovateTM cream was simulated using the Transdermal Compartmental Absorption & Transit (TCATTM) Model in GastroPlus®. The cream was treated as an oil-in-water emulsion, with model input parameters estimated from publicly available information and quantitative structure-permeation relationships. From the ranges of values available for model input parameters, a set of parameters was selected by comparing model outputs to CP dermis concentration-time profiles measured by dermal open-flow microperfusion (Bodenlenz et al. Pharm Res. 33(9):2229–38, 2016). Predictions of unbound dermis CP concentrations were reasonably accurate with respect to time and skin depth. Parameter sensitivity analyses revealed considerable dependence of dermis CP concentration profiles on drug solubility in the emulsion, relatively less dependence on dispersed phase volume fraction and CP effective diffusivity in the continuous phase of the emulsion, and negligible dependence on dispersed phase droplet size. Effects of evaporative water loss from the cream and corticosteroid-induced vasoconstriction were also assessed. This work illustrates the applicability of computational modeling to predict sensitivity of dermato-pharmacokinetics to changes in thermodynamic and transport properties of a compound in a topical formulation, particularly in relation to rate-limiting steps in skin permeation. Where these properties can be related to formulation composition and processing, such a computational approach may support the design of topically applied formulations.

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Section: Model Input Parametersmentioning

confidence: 99%

Predicting Human Dermal Drug Concentrations Using PBPK Modeling and Simulation: Clobetasol Propionate Case Study

van Osdol,

Novakovic,

Le Merdy

et al. 2024

AAPS PharmSciTech

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“…Octanol/water partition coefficients (log P o/w ) were determined at room temperature following a reported method. [43][44] Octanol (1 mL) and PBS (1 mL) were mixed by continuous shaking at room temperature for 24 h. The complexes (50 μM) were then dissolved in 1 mL octanol, and the same volume of PBS was added. The mixture was continually agitated for another 24 h before the two layers are separated after settling down.…”

Section: Octanol/water Partition Coefficient (Log P O/w ) Measurementsmentioning

confidence: 99%

Towards Ruthenium(II)‐Rhenium(I) Binuclear Complexes as Photosensitizers for Photodynamic Therapy

Wang,

Felder,

Mesdom

et al. 2023

ChemBioChem

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The search for new metal‐based photosensitizers (PSs) for anticancer photodynamic therapy (PDT) is a fast‐developing field of research. Knowing that polymetallic complexes bear a high potential as PDT PSs, in this study, we aimed at combining the known photophysical properties of a rhenium(I) tricarbonyl complex and a ruthenium(II) polypyridyl complex to prepare a ruthenium‐rhenium binuclear complex that could act as a PS for anticancer PDT. Herein, we present the synthesis and characterization of such a system and discuss its stability in aqueous solution. In addition, one of our complexes prepared, which localized in mitochondria, was found to have some degree of selectivity towards two types of cancerous cells: human lung carcinoma A549 and human colon colorectal adenocarcinoma HT29, with interesting photo‐index (PI) values of 135.1 and 256.4, respectively, compared to noncancerous retinal pigment epithelium RPE1 cells (22.4).

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Experimental partition determination of octanol-water coefficients of ferrocene derivatives using square wave voltammetry techniques

Abstract: An electrochemical method based on square wave voltammetry was developed for the measurement of octanol-water partition coefficient, LogP, for ten ferrocene derivatives.

Cited by 2 publications

References 11 publications

Predicting Human Dermal Drug Concentrations Using PBPK Modeling and Simulation: Clobetasol Propionate Case Study

Predicting Human Dermal Drug Concentrations Using PBPK Modeling and Simulation: Clobetasol Propionate Case Study

Towards Ruthenium(II)‐Rhenium(I) Binuclear Complexes as Photosensitizers for Photodynamic Therapy

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