New frontiers in CNS

Session 2: Virtual Screening Case study for CNS

In this case study for CNS, we present the power of PharmScreen to explore a dataset of compounds selected among inhibitors of Soluble Epoxide Hydrolase, a new target for relevant therapeutic strategy in Alzheimer Disease (AD). When dealing with CNS drug design, it is often difficult to rely on computational techniques in the early stages of drug discovery. Although the absence of defined target structures in protein misfolded related diseases (such as Parkinson and AD) is not a problem due to the ligand-based nature of PharmScreen ®.

The efficiency of PharmScreen to mine hits among the top ranked results is explored, and the ability to find the most active compounds in the top of the ranking is proved to provide outperforming results.

When

📆 May, 6th at 04PM (CET) / 10AM (EDT)

Discussion Panel

Giorgia Zaetta

Pharmacelera
Research Scientist

Topics

  • PharmScreen helps you to find the most active hits when you mine a compound dataset
  • PharmScreen overcomes CNS drug discovery related limits thanks to its ligand-based nature
  • Exploration of a dataset of compounds selected among inhibitors of Epoxide Hydrolase
  • Results of Virtual Screening proved outperformance of PharmScreen