The use of in vitro cytotoxicity measurements in QSAR methods for the prediction of the skin corrosivity potential of acids

Toxicology in Vitro : an International Journal Published in Association with BIBRA
M D BarrattP A Jones

Abstract

Quantitative structure-activity relationships (QSAR) methods have been derived that relate the severity of skin corrosivity (designated by the EC risk phrases R34 and R35) of acids to parameters that model their skin permeability and cytotoxicity. Skin permeability was modelled by log(octanol/water partition coefficient), molecular volume and melting point, while the cytotoxicity of the acids was accounted for by their pK(a), values and the in vitro cytotoxicity of their sodium salts towards Swiss mouse embryo 3T3 cells. The dataset was analysed using principal components and neural network analysis. The classification predictions from both QSAR methods were in agreement with those in the training set for 26 of the 27 acids. The methods provide useful procedures for the prediction of the skin corrosivity potentials of severely corrosive acids, which avoid the use of experimental animals and demonstrate the value of in vitro cytotoxicity parameters as inputs for QSAR analysis.

References

Jun 1, 1990·Journal of Computer-aided Molecular Design·T Suzuki, Y Kudo
Feb 1, 1995·Toxicology in Vitro : an International Journal Published in Association with BIBRA·M D Barratt
Jun 1, 1996·Toxicology in Vitro : an International Journal Published in Association with BIBRA·M D Barratt
Apr 1, 1994·Toxicology in Vitro : an International Journal Published in Association with BIBRA·K A O'BrienM Dixit

❮ Previous
Next ❯

Citations

May 8, 1999·Medicinal Research Reviews·I KövesdiP Mátyus
Jun 1, 1996·Toxicology in Vitro : an International Journal Published in Association with BIBRA·M D Barratt
Jul 1, 2002·Environmental Toxicology and Pharmacology·Bas J Blaauboer
Mar 1, 2005·Basic & Clinical Pharmacology & Toxicology·Ulrike BernauerUrsula Gundert-Remy
May 26, 1998·Environmental Health Perspectives·M D Barratt
Jan 15, 2020·Current Pharmaceutical Design·Maryam ShabbirKashif Barkat
Jan 7, 2003·Alternatives to Laboratory Animals : ATLA·Bas J Blaauboer
Oct 1, 2005·Alternatives to Laboratory Animals : ATLA·Valérie ZuangJohannes J M van de Sandt
Dec 23, 2004·Alternatives to Laboratory Animals : ATLA·Bas J Blaauboer
Dec 13, 2019·The Journal of Physical Chemistry. a·Georgia MichailoudiNønne L Prisle
Feb 14, 2021·International Journal of Pharmaceutics·Anthony LaiChristopher J H Porter
Mar 15, 2002·Food and Chemical Toxicology : an International Journal Published for the British Industrial Biological Research Association·G EisenbrandJ Kleiner

❮ Previous
Next ❯

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.

© 2021 Meta ULC. All rights reserved