Integrated Discovery Services

Integrated Drug Discovery employs and connects scientists' expertise in Medicinal Chemistry, Synthetic Chemistry, Computational Chemistry, AI/ML, Molecular Biology, Structural Biology, and Bioanalytics to deliver the drug candidates fast and efficiently. Our strategic collaboration with the major chemistry provider Enamine and biology provider Bienta allows us to expedite each project from the early start to the newly developed pre-clinical candidates. The accelerated Design-Make-Test-Analyse Cycle, a key component of Integrated Drug Discovery, allows us to accomplish each cycle within 10-15 business days.
Target Analysis and Druggability assessment
Molecular Biology Cell Lines Protein Production Structure-based Assessment Allosteric Sites Prediction PPI Modulation
Hit identification
Assay Development (cell-based, biochemical, biophysical) HTS Fragment Screening DNA-encoded libraries-ML-CS Crystallography Screening Giga-scale-ML-assisted Virtual Screening
Hit expansion, SAR by catalog
ML-assisted SAR 2D/3D QSAR Custom Spaces Scaffold hopping 3D Pharmacophore similarity Steered MD ADME/Tox predictions
Hit-to-lead
Computer-aided drug design Generative ML Custom Library Design and Synthesis Scaffold Decoration Selectivity (off-target activity) ADME Profiling In vitro and in-vivo DMPK
Lead optimization
Holistic design Custom Library Design and Synthesis Custom Synthesis ADME Profiling In vitro and in-vivo DMPK Accelerated Design-Made-Test-Analise Cycle
Preclinical studies
Safety Profiling Receptor Profiling Ligand binding Additional in vitro and in-vivo characterization Scale-up candidates Synthetic optimization of candidates Metabolic and impurity identification synthesis
DMTA cycle
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DMTA cycle
Design
Medicinal/Computational Chemistry, AI/ML Holistic design
CADD/QSAR
ML-modeling
Generative AI
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Make
Synthetic Chemistry The largest Stock of BBs and reagents
Cutting-edge synthesis technology
Billions of MADE compounds
Parallel chemistry
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Analyze
Program Management The joint team of experts in Medicinal chemistry, computational chemistry, AI/ML, data science to analyze and interpret the results
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Test
Biology Biochemical, biophysical, cell-based assays
In vitro and in-vivo DMPK
ADME
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