Over the last ten years, we have seen several pandemics. The Zika, Ebola, flu, and COVID-19 pandemics have significantly impacted global health, the economy, and society. These pandemics have created a need for collaboration, prevention, and rapid response to new infectious disease threats. The results of research involving researchers from IT4Innovations National Supercomputing Center at VSB – Technical University of Ostrava should help. The research aims to create a range of small molecule-based antiviral agents that can be widely used and rapidly developed to treat infectious diseases.

The research conducted within the AVITHRAPID project focuses on small molecules that have demonstrated biological activity against several target viruses in the past. Various innovative technologies such as molecular modelling, biochemical analysis and cell-based assays, X-ray crystallography, medicinal chemistry, biophysical binding studies, ADMETox profiling, and in vitro and in vivo pharmacokinetics are used and combined to develop preclinical drug candidates. "Better preparation for future pandemics is extremely important. We want to support this by building up a pipeline of preclinical drug candidates that can be used to rapidly identify and develop antiviral agents against emerging infectious diseases," explains the AVITHRAPID research goal Björn Windshügel, the project coordinator from the Fraunhofer Institute for Translational Medicine and Pharmacology ITMP in Hamburg.

The proof-of-concept research approach involves testing a small molecule against the Zika virus in a clinical trial within the AVITHRAPID project. This research will also identify other molecules that are potential drug candidates against SARS-CoV-2, hepatitis, and other pathogens. "In the ambitious landscape of AVITHRAPID, harnessing advanced Artificial Intelligence and large-scale molecular simulation at Dompé farmaceutici is a game changer. AI not only accelerates our drug development processes but also aligns perfectly with the consortium's goal of rapidly identifying and developing antiviral agents. Our involvement in AVITHRAPID positions us at the vanguard of integrating AI to expedite breakthroughs against emerging infectious diseases. AVITHRAPID has further strengthened Exscalate's commitment to delivering affordable treatments against pandemics, a mission that began with the EXSCALATE4COV project," explains Andrea Beccari of the Italian pharmaceutical company Dompé farmaceutici, a partner institution in the AVITHRAPID consortium.

Establishing a pipeline of scientifically validated preclinical drug candidates is intended to encourage investors to participate in infectious disease research and partner with the pharmaceutical industry to develop new treatments. This will create a European ecosystem to combat infectious diseases that could develop into pandemics. It will also raise awareness of viral diseases in the European healthcare system, which is a crucial factor in preventing future pandemics.

"In the AVITHRAPID project, IT4Innovations is involved in research activities related to the effective use of supercomputers, including the Karolina supercomputer, for running bioinformatics pipelines and machine learning applications. This includes the efficient processing of large datasets and providing automatic execution and management of computations on supercomputers," explains Jan Martinovič from the Advanced Data and Simulations Lab at IT4Innovations National Supercomputing Center.

The AVITHRAPID (Antiviral Therapeutics for Rapid Response Against Pandemic Infectious Diseases) project is part of the Horizon Europe Framework Programme topic “Pandemic preparedness and response: Broad spectrum anti-viral therapeutics for infectious diseases with epidemic potential”. The AVITHRAPID research consortium brings together 18 research institutions and companies from eight countries coordinated by the German Fraunhofer Gesellschaft. The project was launched in January this year, with a duration of 54 months and a budget of EUR 7.5 million. More information can be found on the www.avithrapid.eu project website.

The AVITHRAPID project is funded by the European Union’s Horizon Europe research and innovation programme under grant agreement No. 101137192.