Proasis4 is the most advanced web based data and software resource management system available. It allows more scientists within a medicines research team to contribute to structure activity analysis, contribute to ligand design and to focus on evidence based approaches to drug discovery.
Lead optimisation using Structure Based Drug Discovery (SBDD) includes the optimisation of binding affinity (and/or other chemical or pharmacological properties) of a drug lead to the protein target. A significant limitation of this process of lead optimisation using SBDD is that too few scientists have access to, and the required experience with, both the informatics resources and the expert modelling software tools required to work with these resources. Both are necessary to effectively contribute to the design process.
Most modern molecular modelling platforms are computational chemistry based, that is molecular mechanics and molecular dynamics methods have significant roles. With the large increase in experimental data now available, molecular modelling based on informatics methods plays an increasingly important role, providing new insights not possible with simulation based methods.
Proasis4 provides all scientists within a research project with both the data resources and software resources necessary to contribute to pharmaceutical drug design by providing a comprehensive data management and informatics system in one. This includes:
- web based access to all protein crystal structure resources
- web based access to powerful search and retrieval methods
- web based molecular graphics
- web based ligand design tool
all within one research application, with the focus on informatics methods, and without any additional 3rd party client dependencies other than a web browser and internet connection.
Proasis4 is robust, modular, scalable, and secure. It incorporates the latest technologies to future-proof the new product and includes advanced implementations using latest programming frameworks.