Based on X-ray structures and/or known active ligands, our computational and medicinal chemistry experts perform a pharmacophore-based virtual screening to identify new hits for a biological target or a specific mechanism. This service has been designed as a product (SaaP) and includes the following tasks:
|Literature/project search and analysis|
|Pharmacophore model generation, optimization and validation|
|Virtual screening with several and specific compound databases (10+ Mio)|
|Virtual hit analysis and selection for biochemical evaluation|
Our innovative solution is aimed to solve the difficulty of finding a new starting point and allow customer to save time and money by avoiding medium or high-throughput screening (HTS). From our experience, hit rate is raised by 20%.