Computer Aided Drug Design (CADD)
For 30 years, Curia has provided expertise in synthetic and medicinal chemistry, driven by the goal of accelerating your program on the road to the clinic and commercialization. Providing chemistry support that span all stages of drug discovery, from exploratory, hit-to-lead, lead optimization, to candidate selection. We deliver expert solutions to your complex discovery challenges with a proven track record for success, including the development of more than 95 preclinical and clinical candidates. To accelerate your innovation, we combine scientific expertise and leading-edge technology at our integrated drug discovery centers.
Integrated Services to Accelerate Early-stage Drug Discovery
CADD (Computer Aided Drug Design) methods can increase the odds of identifying compounds with desirable characteristics, speed up the hit-to-lead process and improve the chances of getting your compound past the hurdles of preclinical testing. Curia’s computer-aided drug discovery (CADD) services apply computational software and chemistry simulation techniques to help identify novel hits or leads against selected therapeutic targets, as well as to support medicinal chemistry lead optimization programs.
Curia’s comprehensive CADD capabilities include:
- Virtual screening using 2D similarity searches, 3D pharmacophore searches and high-throughput docking of databases composed of more than 6 million distinct compounds
- Designing target-focused compound libraries
- Lead optimization using structure or ligand-based design
- Profiling and filtering of chemical libraries for molecules with desired drug-like and DMPK properties
- Establishing quantitative structure-activity relationships (QSARs)
- Computer modeling of DMPK properties including CYP inhibition and metabolism