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.
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
A luminescent solar concentrator-based photomicroreactor for energy efficient continuous-flow photocatalysisPoster
The Luminescent Solar ConcentratorPhotomicroreactor
(LSC-PM) is an innovative device
for solar-powered continuous-flow photochemistry.
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Orphan Drugs and Rare Diseases Global Congress 2017 USA
Sep 12 - Sep 14, 2017