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).
LC-SWATH/MS Metabolomics Platform with Hyphenation of Extraction for the Analysis of Polar and Non-polar Metabolites in Biological SamplesPoster
Automated robotic sample preparation with hyphenated dual LC-SWATH/MS analysis for lipids and polar metabolites.
NanoBRET™ Assays for Monitoring Protein Interactions in Living CellsPoster
NanoBRET PPI System is composed of two components.
NanoBRET offers improved S:B over other BRET assays.
NanoBRET provides sensitive live-cell method to study protein interactions.