Periodic Reporting for period 2 - VIRO-FLOW (Enabling Technologies and Drug Discovery: Continuous Flow Processes to Discover Novel Antiviral Inhibitors)
Berichtszeitraum: 2019-11-01 bis 2021-10-31
The global objective of this ITN-EID programme was to provide an innovative and high-level training in drug discovery and enabling technologies for 3 Early-Stage Researchers (ESRs), supported by a network of experts in anti-infective therapeutics, specifically virology and bacteriology in AiCuris, a pharmaceutical company; and the Institute of Chemical Research of Catalonia (ICIQ), a research center working on catalysis, with a special focus on sustainability (functionalization of small molecules, renewable energies, new uses for light in chemistry) using an integrated approach. ICIQ is highly committed to knowledge and technology transfer to the chemical, pharmaceutical and energy industrial sectors. When at ICIQ, the students were integrated in the Pericàs Laboratory and the technology development unit ERTFLOW, with ample expertise in flow chemistry.
All three ESRs, successfully completed their training and individual projects leading to the awarding of a PhD title for each one of them. As a direct consequence of the outstanding work and excellent training received, all three fellows have already secured a qualified job in their field of expertise.
The ambition of the project was to use the obtained data and automatically evaluate them to calculate the most fitting structures for the next cycle of structure activity relationship (SAR) development. The automatization of the combined chemical and biochemical processes was to lead to an iterative optimization cycle of the biochemical activity for the newly generated compounds. For this, docking studies and in silico library design for the identification of new chemical entities followed by their synthesis in flow were conducted. Subsequent determination of the half-maximal inhibitory concentrations using a miniaturized microfluidic read out system led to the data required for the next cycle of structure activity relationship (SAR) development. All three ESRs were actively involved in the project. All of them were regularly being trained on their soft skills needed for the upcoming responsibilities as PhD’s in an academic or industrial working environment.
Two publications regarding optimized synthesis in flow chemical are under preparation and anticipated for 2022. One publication for the miniaturization of the HBV capsid assembly assay from 384 well to microfluidic was accepted in November 2021.
Regarding the exploitation of results, the consortium has been working on several patent applications.