QSAR Model of Regioselectivity of Metabolism in Human Liver Microsomes: Development, Validation, Comparison and Adaptation to Novel Compounds
Poster May 05, 2011
Justas Dapkunas, Andrius Sazonovas and Pranas Japertas
In this work we present QSAR models for the prediction of metabolism regioselectivity. They provide the probability to be metabolized in human liver microsomes (HLM) for every atom of the molecule and are based on a novel GALAS (Global, Adjusted Locally According to Similarity) methodology – an approach enabling the evaluation of Model Applicability Domain via the calculation of prediction Reliability Index (RI).
Investigating the Effects of Fructose Consumption and Inadequate Copper Intake on Nonalcoholic Fatty Liver DiseasePoster
Metabolomics is a viable method for identifying compounds associated with NAFLD. In this investigation, high-quality data facilitate the identification of key metabolites differentiating normal versus diseased species.READ MORE
CiPA Phase 2 Study: validation of an automated microelectrode array (MEA) assay of hiPSC-derived cardiomyocyte electrophysiology for cardiac safety evaluationPoster
These results support the use of hSC-CM and MEA technology for preclinical assessment of proarrhythmic risk within the proposed CiPA paradigm, and, more generally, demonstrate that automation of the CM-MEA assay can achieve high reliability and throughput for cardiac risk assessment in vitro.READ MORE