730017Drug Discovery on DemandClosedLegacy RDA Grant for R&DInnovate UKThe project will create entirely automated, scalable and novel on demand drug design and synthesis services to support early drug discovery by SME's and academic groups operating as "Micro-Pharmas", allowing them to be competitive with large pharmaceutical companies. It will create a repository of chemicals which can be rapidly synthesised on demand, supplemented by pre-existing and commercially available samples and conventional chemistry synthesis when necessary. Customers will search the repository by sophisticated on-line molecular design algorithms. Physical samples will be produced "on demand" by novel micro-reactor synthetic methods or acquired from commercial compound suppliers, and the samples prepared and shipped to the customer ready for testing using highly accurate automated dispensing equipment. The project involves the integration of micro-reactor chemical synthesis methods with advanced computer-based drug design systems. Chemicals will be synthesised in chip micro-reactors using pre-defined reagents and synthetic routes which will require the development of predictive systems capable of accurately estimating the products of the reagents/route combinations available. The project will combine the predictive systems for micro-reactor chemistry with prediction of the properties required for success as a drug, including biological activity, bioavailability, physical and toxicological properties. If the project is successful, Molplex will offer chemicals that have been designed to have the biological, physical, bioavailability and toxicity properties necessary to be a successful drug and synthesise them "on demand". By combining property prediction, the optimal combination of reagents/synthetic routes will be developed to focus on developing chemistry with high value potential in all therapeutic areas. The project will transform the current basic chemical search offering to create new and globally accessible drug discovery services "on demand". Chemicals will be delivered in pre-packaged, assay-ready form for use in drug discovery screening in customer assays or, if required, sent directly to specialist screening companies. The customer would only pay for what they are interested in, when they require them, eliminating the need to purchase expensive chemical storage facilities, stock and chemical synthesis, and the costs of setting up the associated specialist equipment and expertise. This service would remove the very high cost barriers to entry for new drug discovery by replacing the high capital investment (typically £3-4 M) needed to establish chemical storage, synthesis and screening as well as fixed costs for operations (typically £0.5M p.a.) with a dynamic and rapidly accessible pay-as-you-go service. This would open a new global market for drug discovery services aimed at small businesses, academic groups and research institutes across the world in which Molplex will have a unique, first-mover commercial advantage. Because of the high levels of automation of drug design, and synthesis that would be created by this project, Molplex could offer a uniquely scalable, global and flexible drug discovery service. In addition, the on-line systems will create a high profile showcase, leading to a customised-solutions business, targeted at the conventional mini and mega-Pharma market sectors.