University of Primorska Faculty of Mathematics, Natural Sciences and Information Technologies
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ProBiS-Fold approach for binding site detection for whole structural human proteome in drug discovery

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Project presentation

Title: ProBiS-Fold approach for binding site detection for whole structural human proteome in drug discovery

Project Code: J1-4414

Leading institution: UP FAMNIT

Principal investigator at UP FAMNIT: prof. dr. Dušanka Janežič

Partner institutions: 

  • UL Faculty of Pharmacy
  • UM FKKT
  • National Institute of Chemistry

Funding organization: Slovenian Research and Innovation Agency (ARRS) 

Research field (ARRS):
2.02.06 Biochemical engineering
4.06.05 Plant biotechnology
4.03.01 Agricultural plants

Project type: Applied research project

Duration: 1. 10. 2022 - 30. 9. 2025

Description:

The ProBiS-Fold approach, on which the ProBiS-Fold web server is based, will for the first time allow searching for interactions between most human protein structures not limited to those in the Protein Data Base, predicting ligand selectivity and binding, and observing the effects of conserved water and sequence variations on ligand binding, allowing to go beyond human involvement in drug development. This work will provide the scientific community with a freely accessible, versatile server that researchers and clinicians can easily use from the web to discover molecules that bind to the proteins under study. Our ProBiS tools will enable the combination of several otherwise unrelated research areas, e.g. graph theoretical approaches, genetic variation studies, protein structure studies and molecular dynamics simulations.

Department: 
Department of Applied Natural Sciences