Linking existing in vitro dermal absorption data to physicochemical properties: Contribution to the design of a weight-of-evidence approach for the safety evaluation of cosmetic ingredients with low dermal bioavailability

Ates, Gamze; Steinmetz, Fabian P.; Doktorova, Tatyana Y.; Madden, Judith C.; Rogiers, Vera

doi:10.1016/j.yrtph.2016.01.015

Cited by 30 publications

(16 citation statements)

References 14 publications

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“…As the physico-chemical properties are fundamental to determine UV-filter ability to penetrate through the skin, Watkinson et al attempted to develop a suitable model to predict their percutaneous absorption [ 44 ]. Recently, Ates et al proposed a novel approach to identify active ingredients with low skin permeation based on their physicochemical properties and their in vitro skin permeation [ 45 ]. In particular, if at least two of the following criteria apply—(a) molecular weight < 180 Da; (b) Log Pow > 0.3; (c) melting point < 100 °C; (d) topological polar surface area < 40 Å 2 —the molecule should show high skin permeation.…”

Section: Resultsmentioning

confidence: 99%

In Vitro Evaluation of Sunscreen Safety: Effects of the Vehicle and Repeated Applications on Skin Permeation from Topical Formulations

et al. 2018

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The evaluation of UV-filter in vitro percutaneous absorption allows the estimation of the systemic exposure dose (SED) and the margin of safety (MoS) of sunscreen products. As both the vehicle and pattern of application may affect sunscreen safety and efficacy, we evaluated in vitro release and skin permeation of two widely used UV-filters, octylmethoxycinnamate (OMC) and butylmethoxydibenzoylmethane (BMBM) from topical formulations with different features (oil in water (O/W) emulsions with different viscosity, water in oil (W/O) emulsion, oils with different lipophilicity). To mimic in-use conditions, we carried out experiments repeating sunscreen application on the skin surface for three consecutive days. BMBM release from all these vehicles was very low, thus leading to poor skin permeation. The vehicle composition significantly affected OMC release and skin permeation, and slight increases of OMC permeation were observed after repeated applications. From skin permeation data, SED and MoS values of BMBM and OMC were calculated for all the investigated formulations after a single application and repeated applications. While MoS values of BMBM were always well beyond the accepted safety limit, the safety of sunscreen formulations containing OMC may depend on the vehicle composition and the application pattern.

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Section: Resultsmentioning

confidence: 99%

In Vitro Evaluation of Sunscreen Safety: Effects of the Vehicle and Repeated Applications on Skin Permeation from Topical Formulations

et al. 2018

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“…In a similar manner, Ates et al developed a small number of physico-chemical properties that are seen to be determinants of poor absorption through the skin. 107 There are also QSARs for effects such as bioavailability which may be used as part of the risk assessment process. In addition QSARs can provide an estimate of exposure following absorption through the skin, 107-108 blood-brain barrier, 109 cornea 110 and various other membranes.…”

Section: Models For Exposure and Bioavailability -Adding Value To Aopsmentioning

confidence: 99%

Relationship Between Adverse Outcome Pathways and Chemistry-BasedIn SilicoModels to Predict Toxicity

Cronin

RicharzAndrea-Nicole

2017

Applied In Vitro Toxicology

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The current landscape of Adverse Outcome Pathways (AOPs) provides a means of organising information relating to the adverse effects elicited following exposure to chemicals. As such, AOPs are an excellent driver for the development and application of in silico models for predictive toxicology allowing for the direct relationship between chemistry and adverse effects to be established. Information may be extracted from AOPs to support the creation of (quantitative) structure-activity relationships ((Q)SARs) as well as to increase confidence in grouping and read-across. Any part of an AOP can be linked to these various types of in silico models. There is, however, an emphasis on using information from known Molecular Initiating Events (MIEs) to create models including 2D and 3D structural alerts, SARs and QSARs. MIEs can be classified according to the nature of the interaction e.g. covalent reactivity, oxidative stress, phototoxicity, chronic receptor mediated, acute enzyme inhibition, unspecific, physical and other effects. Different types of MIEs require different approaches to their in silico modelling. Modelling Key Events and Key Event Relationships is useful if they represent the rate limiting step or key determinant of toxicity. Modelling of metabolism and chemical interactions will become part of AOP networks, which are also driving species-specific extrapolation and respective adaptation of models. With more information and data being captured, in silico approaches will increasingly support the application of knowledge from AOPs to build weight of evidence and support risk assessment, e.g. in the context of Integrated Assessment and Testing Approaches (IATAs).

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“…For some, there is evidence of systemic absorption leading to detectable levels in the blood or urine, whereas for many others, the systemic absorption has not been adequately characterized. Absorption will vary depending on many factors, including physicochemical attributes of the active ingredient, vehicle/formulation properties, and the thickness and composition of the stratum corneum (which depends on the body site) . If a drug is systemically absorbed, long‐term exposure raises safety concerns that should be evaluated.…”

Section: Discussionmentioning

confidence: 99%

Safety Threshold Considerations for Sunscreen Systemic Exposure: A Simulation Study

Jian

Ganley

2018

Clin Pharma and Therapeutics

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Sunscreens are regulated as over-the-counter drugs in the United States. Some sunscreen ingredients are absorbed into the systemic circulation, which raises concerns about the safety of these drugs. There is limited information on the systemic exposure for most sunscreen ingredients. This report estimates the systemic absorption of two sunscreen active ingredients, oxybenzone and enzacamene, by developing a pharmacokinetic model from published sunscreen absorption data and compares the results with safety thresholds proposed by the US Food and Drug Administration and in the literature. Our analysis indicates that systemic absorption can be substantial, and evaluation of the systemic exposure of sunscreen ingredients is warranted to better assess any long-term risks of use.

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Linking existing in vitro dermal absorption data to physicochemical properties: Contribution to the design of a weight-of-evidence approach for the safety evaluation of cosmetic ingredients with low dermal bioavailability

Cited by 30 publications

References 14 publications

In Vitro Evaluation of Sunscreen Safety: Effects of the Vehicle and Repeated Applications on Skin Permeation from Topical Formulations

In Vitro Evaluation of Sunscreen Safety: Effects of the Vehicle and Repeated Applications on Skin Permeation from Topical Formulations

Relationship Between Adverse Outcome Pathways and Chemistry-BasedIn SilicoModels to Predict Toxicity

Safety Threshold Considerations for Sunscreen Systemic Exposure: A Simulation Study

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