Computer-aided drug design
Sitting across every element of our drug discovery process, we offer the very best in data crunching, hypothesis creating, virtual screening and in silico modeling through computer-aided drug design.
Our clients make the most of our proprietary, open-source and commercial software and databases to:
- Combine in silico and in vitro methods to evaluate the potential of biological targets to respond to drugs.
- Develop structure-based designs based on known protein structure or ligand-based strategies to identify high-quality scaffolds.
- Run accurate, high-throughput virtual screening for cost-effective hit identification.
- Identify potent, selective, efficacious and safe compounds for preclinical evaluation.
Knowledge is power when it comes to identifying potential drug candidates. With a wealth of published and proprietary information at our fingertips, we’ll derive chemical start points – whether its structure-based design, ligand-based scaffolds or even fragment screening for difficult-to-drug biologics.
With liquid-handling technology and our biophysical/biochemical expertise, our medium-throughput screening can screen up to 25,000 compounds to find new candidates for previously untreatable conditions.
Hit to lead
Drug discovery is perhaps the most exacting innovation there is. Nearly every potential compound must be discarded to find the precious few that will make it through to drug development.
This process needs to be fast, yet accurate. It needs to succinctly define the target lead criteria and follow a screening cascade to triage compounds.
Our design-make-test-analyze process optimizes biological activity, selectivity and pharmacokinetic profiling to select the most promising candidates.
Lead optimization is all about the bigger picture and understanding all the requirements for success. Our lead optimization process is centered on developing and testing a purposeful scientific hypothesis to identify the best development candidate.
We define efficacy studies, potency levels and drug delivery methods and then widen the view again to define the IP scope and understand the competitive landscape.
Target identification and validation
When the drug candidate comes closer to preclinical stages, our range of in vitro and in vivo assays and experiments accurately mimic human models. Developers can understand the mode of action and potential targets and see how the drug might transfer from animal to human.
Ready to fast-track your drug discovery?
Contact us to find out more about our unique model.
Interested in what comes next?
Discover our drug development services.