Predictive in silico Screening to Determine Vector-Mediated Transport Properties for the Blood-Brain Barrier Choline Transporter
Poster Apr 24, 2013
Sergey Shityakov and Carola Förster
The molecular docking methods were applied to determine energetic profiles (ΔG) and correlate them to the experimental binding modes. We report strong correlation of ΔG values with number of heavy atoms in the molecule. The molecular docking methods were able to predict almost all active compounds except for those with low number of heavy atoms, which limits rotational degrees of freedom. Knowledge gained from this study is useful to better understand the BBBCHT as well as can be used in medicinal chemistry programs targeting this transporter.
Bioluminescent Assay for GTPases Allows Measurement of GTPase, GAP and GEF ActivitiesPoster
We have developed a homogenous bioluminescent assay (GTPase-Glo) system to analyze these proteins in a simple, convenient “add-mix-read” format.READ MORE
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.
Human iPSC-derived cardiomyocytes: A translational model to predict drug-induced cardiac arrhythmias and long-term toxicityPoster
The results shown here imply that iPSC-derived Cor.4U human cardioymocytes are a translational in vitro cell model for the prediction of clinically relevant drug-induced cardiac arrhythmias and long-term toxicity.READ MORE