“Successful people are always looking for opportunities to help others. Unsuccessful people always ask, ‘What’s in it for me?‘”
ChemBio Discovery, Inc. provides state-of-the-art expertise in Lead discovery (Hit-Lead-Candidate), & supports drug discovery and development projects. We are dedicated to offer our clients, which include small-to-medium size pharmaceutical, biotech, & agrochemical companies, and academic research institutes, a highly reliable early discovery solutions & project support in computational modeling, in particular (but not limited to):
- Hit-to-Lead ID: virtual screening of commercial or corporate libraries.
- Lead optimization (structure-based / ligand-based strategies).
- Selectivity profiling of lead compounds against related proteins (to pursue interesting polypharmacology or to avoid off-target binding).
- Multi-parameter optimization and predictive modeling such as QSAR.
- Filtering (PAINS), manipulation (clustering), property analysis & maintenance of molecular libraries
- Combinatorial library design– creating focused virtual libraries around leads, or create a library form commercial databases using substructure similarity for binding affinity calculations and ranking.
- Feasibility and exploratory studies on specific targets of interest (TOI).
- Assistance with drug repurposing, ADME/Tox evaluations.
- Automation of routine tasks – KNIME workflows, scripts, etc.
- Biologics modeling: antibody modeling, humanization, protein/ peptide-protein docking, thermal stability enhancement, affinity maturation, aggregation propensity hot-spots (to improve solubility), proprietary peptide QSAR modeling (CoRIA: Comparative Residue Interaction Analysis). Bioinformatics: sequence alignment, analysis, and manipulation, secondary structure prediction, homology modeling, and analysis of experimental data (e.g. antibody display).
- Expert consulting on selection and use of software, training and support in establishing CADD labs to address specific research needs.
- Provide expert advice and project support to nucleic acid macromolecule (mRNA, DNA) targeting as well as for developing nucleic acid based therapeutics.