Hit-to-Lead optimization to drug candidate selection
Optimizing hits
Hit-to-lead projects require accelerated preparation of series of analogs around hit structures to validate their potential for the development of lead compounds. Edelris has a strong track record in optimizing hits identified from various screening technologies including fragment screening and HTS.
Hit exploration
Edelris has a strong experience and established infrastructure for high throughput library synthesis allowing rapid hit exploration in a timely manner. Typically within 3-9 months, structure-activity relationships (SAR) and early assessment of in-vitro ADMET properties allows for the selection of a suitable lead candidate to further explore the target pharmacology.
Network of partners
Lead optimization relies on the fine-tuning of multiple parameters to reach the desired pharmacological profile of a drug candidate (efficacy, safety). This is achieved through the design and synthesis of focused libraries as well as specific compounds to generate detailed structure-activity and structure-property relationships. Edelris benefits from a strong network of partners to provide integrated services towards the selection of a preclinical candidate.
In Silico driven Drug Discovery
- Edelris routinely uses computational methods to significantly accelerate the early phase of your projects. When used in combination with our multi-million compounds proprietary Keymical Space™ our clients have the unique opportunity to identify new chemical matter for their programs.
- Structure- and ligand-based Virtual Screening allow us to prioritize compounds, identify new hits, or tackle typical problems encountered in medicinal chemistry programs such as selectivity issues or IP protection.
Medicinal chemistry programs
Edelris has an excellent track record in progressing medicinal chemistry programs for our partners, as exemplified by the following success stories
VONAFEXOR
Vonafexor is a powerful FXR agonist initially designed as an antidiabetic molecule. As part of the collaborative NATHEB project, funded by the FUI, Edelris and its partners, INSERM and Poxel, discovered that Vonafexor inhibits the DNA of the hepatitis B virus (HBV) and the production of viral antigens. Vonafexor is continuing its clinical trials in the treatment of hepatitis B but more particularly in the treatment of Alport syndrome and Metabolic dysfunction-Associated SteatoHepatitis (MASH).
BAY-850
Bayer Pharmaceuticals partnered with Edelris to bring our expertise into action on a small molecule epigenetic regulator, ATAD2. From an initial weak ligand, we developed a potent (IC50=22nM), selective, soluble, and permeable biological tool compound – BAY-850.
2,7-DIAZASPIRO[4,4]NONANE
With partners from the Center for Cellular Biology Research (Uni. of Montpellier), the CNRS Laboratory of Applied Biology and Pharmacology in Cachan (both France) and Pharmatest in Turku (Finland) we developed the synthesis of and identified a novel diazaspiro[4,4]nonane compound with osteoclast inhibitor activity.