Computer-Aided Drug Design (CADD)
- ADMET Modeling and Prediction
- De Novo Drug Design
- Ligand Based Virtual Screening
- Quantum Mechanics for Target Selection
- Structure-Based Virtual Screening
- DNA-Encoded Library Technology (DELT)
- Fragment-Based Screening
- High Content Screening (HCS)
High Throughput Screening (HTS)
- Automated HTS Platform
- Biochemical assays in Hit Characterization
Biophysical Assays in Hit Characterization
- BLI for Affinity-based Hit Screening
- CD Spectrometry for Protein Structure Determination
- ITC for Binding Assessment
- MS for Structure Confirmation
- MT for Binding Affinity Measurement
- NMR Spectrometry for Tareget identification and Characterization
- SPR Spectrometrys for Structure Determination
- TSA for Protein's Stability Evaluation
- Cellular assays in Hit Characterization
- Drug Repurposing
- Hit Screening
- HTS Assay Development
- HTS Compounds Libraries
- HTS Data Management
- Virtual Screening (VS)
Drug Discovery Services
- Experienced and qualified scientists functioning as project managers or study director
- Independent quality unit assuring regulatory compliance
- Methods validated per ICH GLP/GMP guidelines
- Rigorous sample tracking and handling procedures to prevent mistakes
- Controlled laboratory environment to prevent a whole new level of success
In order to remove false positive compounds and select the optimal hits for the subsequent optimization of drug-like properties, hits validation is carried out to characterize the binding properties of 'off-DNA' compounds. Conventional orthogonal assays including various biochemical or biophysical techniques are employed to confirm the hit compounds.
Our Services of Hits Validation
Our validation services involve common biochemical and biophysical methods. Especially worth mentioning is our affinity screening mass spectrometry and biosensor platform, which provide various useful information and save experimental time.
- Biochemical assays: Enzymatic assays.
- Biophysical assays: Fluorescence polarization (FP), isothermal titration calorimetry (ITC), differential scanning fluorimetry (DSF), surface plasmon resonance (SPR), AlphaScreen and NMR.
- ASMS (Affinity screening mass spectrometry) for compound enrichment verification:
We apply ASMS to select possible binders with high confirmation rate.
We investigate different kinds of cleavable linkers, which can maintain the same conditions in DELs and avoid affections from their DNA tags during affinity selection.
- Biosensor platform
We perform kinetic hit validation to reveal dissociation constants(Kd,), on-rates (kon) and off-rates (koff) for the enriched hits.
Our Advantages of Hits Validation Services
- We take both products and byproducts into consideration by mimicking the reactions during the ASMS.
- Our biosensor-based hit validation method can rapidly characterizes hundreds of DNA-encoded hits which means there is no need of synthesizing and purifying the individual combinatorial compounds.
- At BOC Sciences, our biochemical assays and biophysical assays platforms can provide comprehensive characterization tools to support your confirmation operation.
- Verena, K.; et al. DNA-encoded libraries - an efficient small molecule discovery technology for the biomedical sciences. Biological Chemistry. 2018, 399(7): 691-710.
※ It should be noted that our service is only used for research.