Identification of structural alerts for liver and kidney toxicity using repeated dose toxicity data
The potential for a compound to cause hepatotoxicity and nephrotoxicity is a matter of extreme interest for human health risk assessment. To assess liver and kidney toxicity, repeated-dose toxicity (RDT) studies are conducted mainly on rodents. However, these tests are expensive, time-consuming and require large numbers of animals. For early toxicity screening, in silico models can be applied, reducing the costs, time and animals used. Among in silico approaches, structure–activity relationship (SAR) methods, based on the identification of chemical substructures (structural alerts, SAs) related to a particular activity (toxicity), are widely employed.
We identified and evaluated some SAs related to liver and kidney toxicity, using RDT data on rats taken from the hazard evaluation support system (HESS) database. We considered only SAs that gave the best percentages of true positives (TP).
It was not possible to assign an unambiguous mode of action for all the SAs, but a mechanistic explanation is provided for some of them. Such achievements may help in the early identification of liver and renal toxicity of substances.
Cannabis has an adverse effect on the ability to drive safely, therefore a rapid disposable test for Δ
-THC), the psychoactive component of cannabis, is highly desirabl ... more
Hydrazones and their metal
complexes were heavily studied due to their pharmacological applications such as antimicrobial, anticonvulsant analgesic, anti-inflammatory and anti-cancer agents. This work aims to synthesize and characterize novel complexes of VO ... more
Citrus fruits, which are cultivated worldwide, have been recognized as some of the most high-consumption fruits in terms of energy, nutrients and health supplements. What is more, a number of these
fruits have been used as traditional medicinal herbs to cure diseases in several Asian cou ... more
Both legitimate brewers and distillers - and authorities on the track of illicit alcohol from home stills - will soon have a helping hand. Measurement experts have unveiled a portable device to determine the strength of alcoholic drinks quickly and easily, almost anywhere. Published in the ... more
Watermelon juice can be a valuable source of biofuel. Researchers writing in BioMed Central's open access journal Biotechnology for Biofuels have shown that the juice of reject watermelons can be efficiently fermented into ethanol.
Wayne Fish worked with a team of researchers at the USDA-A ... more
The active ingredient in many insect repellents, deet, has been found to be toxic to the central nervous system. Researchers writing in BMC Biology say that more investigations are urgently needed to confirm or dismiss any potential neurotoxicity to humans, especially when deet-based repell ... more