drug discovery Archives

Ketamine’s potential for treating neurological diseases such as depression, PTSD, and chronic pain has sparked significant interest within the medical and scientific communities. (Photo by Robina Weermeijer on Unsplash.)

Discoveries

Ketamine distribution in the brain: understanding drug metabolism with SIRIUS

Ketamine is known for its dual role as an anesthetic and an emerging antidepressant. Despite its long-standing clinical use, the metabolic pathways and pharmacokinetics of ketamine remain poorly understood. A study of ketamine metabolism in the pig brain using SIRIUS provides valuable insights into the distribution of ketamine and its metabolites in different areas of the brain.

Franziska Hufsky 2024-04-18 No Comments

Software for efficient identification of bioactive small molecules for drug discovery using affinity selection mass spectrometry.

Projects

Accelerating Drug Discovery: Computational methods for affinity selection mass spectrometry

This project aims to develop robust computational methods and a user-friendly software to efficiently identify new bioactive small molecules from synthetic libraries using affinity selection mass spectrometry, significantly reducing the time and cost associated with drug discovery.

Franziska Hufsky 2024-01-29 No Comments

Discoveries

Scouring the oceans: Revealing the chemical potential of marine microorganisms with SIRIUS

Marine microorganisms offer a rich source of bioactive compounds with unique structures and remarkable biological activity. This makes them an important resource for the search for new therapeutic compounds, which is one of the most pressing challenges of our time. To narrow down the search to the most promising microorganisms, SIRIUS is nearly doubling the number of natural products annotated to estimate the chemical potential of microbial extracts.

Franziska Hufsky 2023-03-23 No Comments