Lead Optimization

CADD 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.

Our complete 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

To analyze your compounds, we offer a variety of chromatographic expertise and techniques:

• HPLC and UPLC/UHPLC instrumentation with a wide variety of detection capabilities (UV, DAD, RI, MS, MALS) to determine sample assay and purity of samples, along with quantitation for solubility, dissolution, diffusion and other techniques requiring quantitation
• Use of your methods, qualification of compendial methods and full method development, including forced degradation and identification of impurities
• Preparative chromatography services
• Ion chromatography for use in a wide variety of applications, including quantitation of API salts

Our highly skilled scientists combine advanced bioanalytical methods and sophisticated technologies to bring you the best bioanalytical solutions for all phases of your drug development.

Whether you require biological sample prep, analyte extraction, quantitative bioanalysis or radiometric detection, we can help you reach your compound goals.

Delivering accurate and reliable scientific data, we ensure the success of your discovery, preclinical and clinical programs. Our dedicated scientists provide bioanalytical methods for the extraction and quantitation of drugs and metabolites in biological fluids and tissues.

When integrated with our market-leading technology, these bioanalytical services yield accurate and robust solutions.

Capabilities

• Biological sample preparation
• Extensive expertise with diverse drugs and complex biological matrices, including plasma, urine, feces, bile and various organs and tissues
• Rapid selection and method development from numerous options for analyte extraction and recovery
• Quantitative bioanalysis: Rapid method development for quantitative LC/MS/MS analysis
• Radiometric detection for radiolabeled drugs and metabolites
• Calculation and modeling of pharmacokinetic parameters
• Overall mass balance and distribution of drug compound and its metabolites
• Structural characterization of metabolites by LC/MS/MS, LC/NMR, capillary NMR

• Structural Biology
• Structure-based drug design 
• Bioactivity testing