Full Process

Hit-to-lead, lead-to-PCC optimization

Effective assessment of the binding intensity between drug molecules and targets is the basis for the design of small molecular drugs. At the same time, how to change its constructive characteristics after combining small molecular drugs and target proteins is the core issue of molecular medicine. Divamics uses computing methods based on molecular motion paths to fully explore the free energy generated during the combination of drugs and targets. By effectively obtaining dynamic and thermodynamic data in the combination process, it provides the structure design and structure optimization of drug molecules. Comprehensive information support can effectively improve the success rate of new drug research and development in different scenarios

• Enhance the protein and cell activity of the pilot compound (KD, IC50, etc.)

•  Improve the targeted selectivity of drugs and reduce the decisive effect

• Optimization of drug structures combined with different structure points

• Optimization of drug structures that combine protein polymerization

• ​Construction of the advantages of inherent disorderly protein (IDP)

Service advantages​

• Computational Chemistry Experts: Employing molecular dynamics simulations and computational chemistry platforms for rational drug design insights.

• Medicinal Chemistry Specialists: Evaluate drug efficacy, pharmacokinetics, and other properties crucial for drug development.

• Seasoned Project Management: PM with extensive early-stage project management experience, serving clients including 7 publicly listed companies, 2 US biotechs, and 1 Asia-Pacific biotech.