Expansion of chemical space for collaborative lead generation and drug discovery: the European Lead Factory Perspective

Expansion of chemical space for collaborative lead generation and drug discovery: the European Lead Factory Perspective.

High-throughput screening (HTS) represents a major cornerstone of drug discovery. The availability of an innovative, relevant and high-quality compound collection to be screened often dictates the final fate of a drug discovery campaign. Given that the chemical space to be sampled in research programs is practically infinite and sparsely populated, significant efforts and resources need to be i...

The European Lead Factory: A Blueprint for Public–Private Partnerships in Early Drug Discovery

The European Lead Factory (ELF) is a public-private partnership (PPP) that provides researchers in Europe with a unique platform for translation of innovative biology and chemistry into high-quality starting points for drug discovery. It combines an exceptional collection of small molecules, high-throughput screening (HTS) infrastructure, and hit follow-up capabilities to advance research proje...

Qualitative Drug Lead Discovery

Introduction We investigate discovery in pharmacology by following and analyzing the progress of research on drugs for Parkinson’s disease at our local pharmacology department. In pharmacology research detailed knowledge of biological processes is used to provide a rationale for a desired biological activity of a drug. This desired activity should cause a decrease in disease symptoms and is cal...

NMR experiments for lead generation in drug discovery

Exploration of chemical space for drug discovery by database generation

Small molecule drug discovery requires constant innovation The exhaustive enumeration of the 26.4 million possible small organic molecules up to 11 atoms of C, N, O, F in the database GDB shows that 99.8 percent of the small molecule chemical space has yet to be explored. Guided by virtual screening tools, a proof-of-principle study shows that novel bioactive ligands from GBD can be readily ide...