Effective Use of In-Silico Tools in Lead Optimization
Poster Sep 20, 2011
Pranas Japertas, Andrius Sazonovas and Kiril Lanevskij
Physicochemical profiling is carried out very early to get a jump-start in the drug discovery process. Even during hit-to-lead and lead optimization many individuals are involved in the determination of these properties to keep projects focused on molecules that are more likely to be good drug candidates. The advent of various in silico techniques has led many to believe these methods would become the ‘holy grail’ of the future drug discovery. However, despite constant advances in the field and the huge number of available models enabling predictions of a multitude of properties, computational approaches in general still fail to meet high initial expectations. A rational approach to computer-aided lead optimization should involve a variety of techniques including predictions of ADME/Tox properties with a mechanistic insight, and routines that address other issues associated with the compound’s suitability for use as a drug.
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.