Publicaties
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Mutagenicity, antimutagenicity and cytotoxicity evaluation of South African **Podocarpus** species Universiteit Antwerpen
Ethnopharmacological relevance Four species of Podocarpus are used in traditional medicine both in human and animal healthcare in South Africa. In vitro pharmacological screening of leaf and stem extracts of these species exhibited potent antimicrobial, anti-inflammatory, anti-tyrosinase, anthelmintic, acetylcholinesterase inhibitory and antioxidant activities. Aim of the study To investigate the mutagenicity, antimutagenicity and cytotoxicity ...
Automated detection of toxicophores and prediction of mutagenicity using PMCSFG algorithm KU Leuven Vrije Universiteit Brussel
Maximum common substructures (MCS) have received a lot of attention in the chemoinformatics community. They are typically used as a similarity measure between molecules, showing high predictive performance when used in classification tasks, while being easily explainable substructures. In the present work, we applied the Pairwise Maximum Common Subgraph Feature Generation (PMCSFG) algorithm to automatically detect toxicophores (structural ...
In silico tools and transcriptomics analyses in the mutagenicity assessment of cosmetic ingredients Universiteit Antwerpen Vrije Universiteit Brussel
Prior to the downstream development of chemical substances, including pharmaceuticals and cosmetics, their influence on the genetic apparatus has to be tested. Several in vitro and in vivo assays have been developed to test for genotoxicity. In a first tier, a battery of two to three in vitro tests is recommended to cover mutagenicity, clastogenicity and aneugenicity as main endpoints. This regulatory in vitro test battery is known to have a ...
Performance of in silico models for mutagenicity prediction of food contact materials Universiteit Antwerpen Vrije Universiteit Brussel
In silico methodologies, such as (quantitative) structure-activity relationships ([Q]SARs), are available to predict a wide variety of toxicological properties and biological activities for structurally diverse substances. To obtain insights in the scientific value of these predictions, the capacity of the prediction models to generate (sufficiently) reliable results for a particular type of compounds needs to be evaluated. In the current study, ...
Non a Priori Automatic Discovery of 3D Chemical Patterns: Application to Mutagenicity KU Leuven
This article introduces a new type of structural fragment called a geometrical pattern. Such geometrical patterns are defined as molecular graphs that include a labelling of atoms together with constraints on interatomic distances. The discovery of geometrical patterns in a chemical dataset relies on the induction of multiple decision trees combined in random forests. Each computational step corresponds to a refinement of a preceding set of ...
Safety Assessment of a Wheat Bran Extract Containing Arabinoxylan-Oligosaccharides: Mutagenicity, Clastogenicity, and 90-Day Rat-Feeding Studies KU Leuven
Wheat bran extract (WBE) is a food-grade preparation that is highly enriched in arabinoxylan-oligosaccharides. As part of the safety evaluation of WBE, its genotoxic potential was assessed in a bacterial reverse mutagenicity assay (Ames test) and a chromosome aberration assay on Chinese hamster lung fibroblast cells. These in vitro genotoxicity assays showed no evidence of mutagenic or clastogenic activity with WBE. The safety of WBE was ...
In vitro mutagenicity assessment of fried meat-based food from mass catering companies Vrije Universiteit Brussel
The current article aimed to evaluate the in vitro mutagenicity of ten fried meat-based food extracts obtained from different catering companies from Navarra (Spain). A miniaturized 6-well version of the Ames test in Salmonella typhimurium TA98, and the in vitro micronucleus test (OECD TG 487) in TK6 cells were performed. None of the ten extracts of fried meat-based food induced gene mutations in S. typhimurium TA98 with or without metabolic ...
LiCoO2 particles used in Li-ion batteries induce primary mutagenicity in lung cells via their capacity to generate hydroxyl radicals KU Leuven
BACKGROUND: Li-ion batteries (LIB) are used in most portable electronics. Among a wide variety of materials, LiCoO2 (LCO) is one of the most used for the cathode of LIB. LCO particles induce oxidative stress in mouse lungs due to their Co content, and have a strong inflammatory potential. In this study, we assessed the mutagenic potential of LCO particles in lung cells in comparison to another particulate material used in LIB, LTO (Li4Ti5O12), ...