Services
Lead structure discovery and optimization
Pharmacophore Development
Inte:Ligand has developed several algorithms that support our scientists in generating reliable, accurate and selective pharmacophore models. These models allow performing virtual screening in a significantly broader range than with conventional docking procedures. We can rapidly assess bio-activity profiles for large compound libraries for our customers by using multiple pharmacophore models together with virtual screening.
Our tools, our experience of many years and our extensive validation procedures guarantee the high quality of our interaction models, which we create on behalf of our clients.
Generation of Customized Virtual Compound Libraries
Focused compound libraries are the key to success in combinatorial chemistry and high throughput screening. Inte:Ligand has developed software for the generation of customized virtual compound libraries with high drug-likeness.
Different algorithms elaborated for virtual library generation enable us to provide a broad range of diverse ideas for lead structures and subsequently optimized drug-candidates for a specific and well-investigated mode of action for our customers in the pharmaceutical industry.
Virtual Screening
Pharmacophore-based in-silico screening is an efficient and well established method for filtering large virtual compound libraries. Inte:Ligand's pharmacophore development technology offers rapid access to multiple interaction site models for a wide variety of biologically relevant targets.
By combining Inte:Ligand's research tools we can prioritize hits from high throughput screening, assess risks of side effects early and therefore rapidly identify interesting lead structures for our customers. Service in this area is provided by contract research.