Convocatoria 2022 - «Proyectos de Generación de Conocimiento»
The scientific community reacted to the COVID-19 pandemic in an outstandingly rapid and collaborative way. We now have more information on a virus than ever before thanks to the publication of thousands of articles and related data after three years of research on this subject. This information has been used to develop effective vaccines and antivirals drugs against COVID-19. To combat emerging SARS-CoV-2 variants that may be resistant to current treatments or novel viruses that may trigger future pandemics, research in this field must be continued. For this reason, we propose this three-year project submitted to the research-oriented modality and related to the most important thematic priority in health that we have had in recent years. This is a multidisciplinary project that brings together a group of computer scientists and chemists with the aim of generating new computational tools that will help the scientific community to search for antiviral drugs against current and
future pandemics.
Desarrollo de nuevas herramientas computacionales para el descubrimiento de fármacos contra las pandemias actuales y futuras (NEXT-PANDEMICS) (PID2022-138327OB-I00)
Next-pandemics
Team:
- Santiago Garcia-Vallvé, PhD. Cheminformatics and Nutrition Research Group. Biochemistry and Biotechnology Department. Rovira i Virgili University (URV)
- Francesc Serratosa Casanelles, PhD. Department of Computer Engineering and Mathematics (DEIM). Rovira i Virgili University (URV)
- Gerard Pujadas Anguiano, PhD. Cheminformatics and Nutrition Research Group. Biochemistry and Biotechnology Department. Rovira i Virgili University (URV)
- Susana Álvarez Fernández, PhD. Department of Computer Engineering and Mathematics (DEIM). Rovira i Virgili University (URV)
- Maria Carmen Julià Ferré, PhD. Department of Computer Engineering and Mathematics (DEIM). Rovira i Virgili University (URV)
- Ariadna Llop Peiró, PhD student. Cheminformatics and Nutrition Research Group. Biochemistry and Biotechnology Department. Rovira i Virgili University (URV)
- Sarah Fadlallah, PhD student. Department of Computer Engineering and Mathematics (DEIM). Rovira i Virgili University (URV)
- Natàlia Segura Alabart, PhD student. Department of Computer Engineering and Mathematics (DEIM). Rovira i Virgili University (URV)
Results:
- Llop-Peiró A, Pujadas G, Garcia-Vallvé S. Challenges in distinguishing functional proteins from polyproteins in databases: implications for drug discovery. Brief Bioinform. 2024 Jan 22;25(2):bbae012. doi: 10.1093/bib/bbae012.
- Llop-Peiró A, Pujadas G, Garcia-Vallvé S. PDB-CAT: Classification and Analysis Tool for PDBx/mmCIF. 7th Advanced in Silico Drug Design workshop 2024. Olomouc, Czech Republic. 29th January - 1st February 2024
