A Review of (Q)SAR Models for Skin and Eye Irritation and Corrosion

Gallegos, Ana; Patlewicz, Grace; Worth, Andrew

doi:10.1002/qsar.200710103

Cited by 39 publications

(25 citation statements)

References 63 publications

(52 reference statements)

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“…One of the earliest (Q) SAR approaches to predict skin irritation is based on the TOP-KAT methodology, however other methods such as BfR-DSS, DEREK and MultiCASE are well described, and approximately 20 additional models have been reported in the literature (ECHA, 2014). An overview of the systems developed for skin irritation and corrosion is provided by Saliner et al (2006).…”

Section: Resultsmentioning

confidence: 99%

Non-animal models of epithelial barriers (skin, intestine and lung) in research, industrial applications and regulatory toxicology

Gordon

Daneshian

Bouwstra

et al. 2015

ALTEX

122

103

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SummaryModels of the outer epithelia of the human body -namely the skin, the intestine and the lung -have found valid applications in both research and industrial settings as attractive alternatives to animal testing. A variety of approaches to model these barriers are currently employed in such fields, ranging from the utilization of ex vivo tissue to reconstructed in vitro models, and further to chip-based technologies, synthetic membrane systems and, of increasing current interest, in silico modeling approaches. An international group of experts in the field of epithelial barriers was convened from academia, industry and regulatory bodies to present both the current state of the art of non-animal models of the skin, intestinal and pulmonary barriers in their various fields of application, and to discuss research-based, industry-driven and regulatory-relevant future directions for both the development of new models and the refinement of existing test methods. Issues of model relevance and preference, validation and standardization, acceptance, and the need for simplicity versus complexity were focal themes of the discussions. The outcomes of workshop presentations and discussions, in relation to both current status and future directions in the utilization and development of epithelial barrier models, are presented by the attending experts in the current report.

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Section: Resultsmentioning

confidence: 99%

Non-animal models of epithelial barriers (skin, intestine and lung) in research, industrial applications and regulatory toxicology

Gordon

Daneshian

Bouwstra

et al. 2015

ALTEX

122

103

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“…[3] In the OECD guidelines for testing of chemicals for acute eye or skin irritation (or corrosion), structure-activity relationships (SARs) and in vitro methods are incorporated into a tiered system to reduce the use of animals for chemical assessments. [4] A chemical is screened with harmless methods such as SARs and in vitro methods first. When it is deemed safe, it is then introduced into an animal to confirm its non-toxicity.…”

Section: Introductionmentioning

confidence: 99%

“…In line with the needs and direction of the global effort to curb animal use, this project hopes to produce in silico models for eye damage or irritation, skin irritation and corrosion prediction. In an extensive review by Saliner et al, [4] many models for eye and skin irritation (or corrosion) prediction have been presented in the past, which also include software such as DEREK, TOPKAT, and MultiCASE. The review concludes that many QSAR models require further development, validation and documentation.…”

Section: Introductionmentioning

confidence: 99%

QSAR and Predictors of Eye and Skin Effects

Liew

Yap

2013

Molecular Informatics

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In this study, the ensemble of features and training samples was examined with a collection of support vector machines. The effects of data sampling methods, ratio of positive to negative compounds, and types of base models combiner to produce ensemble models were explored. The ensemble method was applied to produce four separate in silico models to classify the labels for eye/skin corrosion (H314), skin irritation (H315), serious eye damage (H318), and eye irritation (H319), which are defined in the "Globally Harmonized System of Classification and Labelling of Chemicals". To the best of our knowledge, the training set used in this work is one of the largest (made of publicly available data) with acceptable prediction performances. These models were distributed via PaDEL-DDPredictor (http://padel.nus.edu.sg/software/padelddpredictor) that can be downloaded freely for public use.

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“…Literature review suggests that active ingredients of plant origin may possess toxicological potential 13 . Dermal irritation is sign of reversible damage to the skin following the application of any test substance 14 . In current work the Acute Dermal Irritation study of polyherbal emulsion in rabbits was conducted.…”

Section: Discussionmentioning

confidence: 99%

Evaluation of Diagnostic Parameters to Detect Induction of Acne, Acute Dermal Irritation and Corrosion Potential of a Polyherbal Formulation

Kumar¹,

Berwal²,

Kumar³

et al. 2017

Int. J. Res. Ayurveda Pharm.

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The current protocol was designed to evaluate and detect the new parameters of acne induction (Histological lesion), Acute Dermal Irritation and corrosion potential of a polyherbal nano emulsion (obtained from research and development of Venus Medicine Research Centre, Baddi, H.P, India) according to Organisation for Economic Co-operation and Development (OECD) guidelines. Materials and Methods: Polyherbal drug, a new micro emulsion for topical use applied on the dorsal area of the trunk, has been developed as an anti-acne herbal nano-emulsion. Polyherbal drug's active ingredients include herbal extracts of Melaleuca alternifolia oil, Rosmarinus officinalis oil, Mentha arvensis oil along with Citrus limon are tested for their antibacterial, antimicrobial, anti-inflammatory and antiseptic effects. Serialise testing approach is recommended for developing scientifically sound data on the corrosivity/irritation of a new substance. Young healthy albino rabbits were used for the initial corrosivity/irritation study. If corrosive response was not found in the initial test, the irritant or negative response was confirmed using three additional animals each with one patch for an exposure period of four hours. Each animal served as its own control. After application of polyherbal emulsion the degree of irritation/corrosion and histological lesions were read and scored. Results: No severe erythema, oedema or any histological lesions were observed after polyherbal nanoemulsion application. The results revealed no irritation potential of polyherbal nanoemulsion. Conclusion: polyherbal nanoemulsion is safe formulation for topical use.

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A Review of (Q)SAR Models for Skin and Eye Irritation and Corrosion

Cited by 39 publications

References 63 publications

Non-animal models of epithelial barriers (skin, intestine and lung) in research, industrial applications and regulatory toxicology

Non-animal models of epithelial barriers (skin, intestine and lung) in research, industrial applications and regulatory toxicology

QSAR and Predictors of Eye and Skin Effects

Evaluation of Diagnostic Parameters to Detect Induction of Acne, Acute Dermal Irritation and Corrosion Potential of a Polyherbal Formulation

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