Accelerate Your Project With Our CADD Services
Our expert Computer Aided Drug Design (CADD) team can help accelerate your drug discovery journey towards the clinic by designing novel compounds that solve critical problems at every stage of the discovery process.
We creatively apply a wide range of structure-based and ligand-based techniques, virtual screening, and ADMET prediction tools to respond to project needs.
Computer Aided Drug Design Services
- Our computational scientists closely collaborate with medicinal chemists, bio scientists and DMPK scientists at Sygnature Discovery and with the client’s scientific team to solve project challenges and reduce project timelines.
- We support drug discovery projects during target analysis, hit identification, hit-to-lead and lead optimisation and also offer computational chemistry support as a stand-alone service.
- Our informatics team ensures that data generated both in-house and externally is securely accessible to clients, collaborators and the team at Sygnature to enable timely decision making in every step of the project.
Our experts specialise in seven key areas:
Target Analysis
We are able to apply a range of computational techniques to help you gain a deep understanding of your target and to complement any biological validation.
Structure Based Drug Design
The three-dimensional structure of a target protein, especially with bound ligand, is a valuable source of information to guide drug discovery.
Library Design
The judicious design of libraries that can be synthesised rapidly in our High Throughput Chemistry lab can accelerate SAR exploration at various stages of the discovery process.
Computer Science and Informatics
We believe sharing results and data is a key component for the success of our projects as it helps to stimulate discussion, tackle problems and enable our client teams to make timely decisions.
Virtual Screening
In silico-based virtual high-throughput screening (vHTS) offers an alternative, complementary and cost-effective approach to hit identification.
Ligand Based Drug Design
In the absence of reliable protein structural information, we are equipped to apply a range of ligand-based tools to advance the drug discovery process at different stages.
ADMET Prediction Software
ADMET prediction techniques can be particularly useful during the lead optimization phase to help fix any persistent ADMET liability in a lead series.
Delivering for our customers - a proven track record
- 48 pre-clinical candidates delivered
- 27 already progressed to clinical trials (>50%)
- Sygnature Discovery co-inventors named on >170 client patent applications
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