We design drug candidate libraries based on SAR and synthesize focused libraries to facilitate discovery of lead compounds. We also specialize in lead optimization and development of efficient synthesis routes for scale-up.
Hit to lead optimization for improving potency and toxicity profiles
Focused compound libraries
Scaffold synthesis
Prodrugs / Bioisosteres
Large scale synthesis of lead compounds
Labelled compounds
Synthesis of metabolites
The medicinal chemistry team at Presude has a strong track record of delivering clinical candidates for our clients. We have experience in a wide range of therapeutic areas including Infectious Diseases, Oncology, Metabolic Diseases, CNS Diseases, Inflammation etc.
We typically undertake the following activities:
- Design and synthesis of focused compound libraries
- Hit to lead optimization for improving potency, ADME and toxicity profiles
- Synthesis of metabolites / labeled compounds
- Identification of novel synthetic routes
- Design and synthesis of prodrugs or bioisosteres
Design Support
De-Novo Libraries
Target Based
Natural Product Based
Fragment Based
Wet Chemistry Process
Compound Managment: Post Production Process
Presude is your one-stop source for custom synthesis requirements.
Custom synthesis from milligram to kilogram scale: Since initial research laboratory protocols may not be suitable for preparing target product at gram/Kg-scales, Presude develops synthetic procedures that best suit our clients’ requirements.
Focused Library Synthesis
Our library synthesis team is capable of quickly validating synthetic routes and efficiently carrying out library production. We can deliver thousands of compounds annually that meet the desired purity profile. We typically undertake the following activities:
- Develop synthetic routes for up to gram scale synthesis of scaffolds.
- Design of focused compound libraries for hit identification or hit to lead
- Diversity-based generation of compound libraries.
- Unique 2D bar-coded vials of each compound for efficient data retrieval and progress monitoring
- Compound management system in accordance with specific screening requirements.
- Compound shipment and logistics assistance
Scale-up from existing process: With demonstrated routes provided by our clients, our chemists can assist in identifying and developing steps for bulk manufacturing.
R&D process optimization: Whether it is an expansion of an existing scalable process or de novo development for new IP, our professional staff can assist in optimization of these routes. We assist our clients in transferring their laboratory projects to pilot-scale production with real-time reaction profiles and total process development.
Computer aided drug design is used in all phases of drug discovery projects including hit identification, hit-to-lead, optimization of ADME and toxicology profiles.
Our computational experts use a variety of docking algorithms to analyze the conformation and orientation of small molecules and fragments in the binding site of target proteins after obtaining their PDB structures. The team is also proficient with a wide range of ab initio modelling techniques when experimental 3D structures are not available.
Computational Chemistry
- Structure-based drug design
- Ligand-based drug design
- Scaffold hopping and de novo design
- Druggability analysis
- Virtual screening
- Target-based or diversity-based library design
- QSAR modelling
- Estimating ADME properties in silico