In this webinar, we will present our research focused on understanding the core mechanisms (perturbome) employed by prokaryotic organisms to survive and adapt to diverse stress conditions. Our analyses are based on transcriptomic datasets from the bacterial models Escherichia coli, Pseudomonas aeruginosa, and Staphylococcus aureus, in which gene expression analyses and the prioritization of stress-response-associated genes were performed using machine learning, systems biology, functional enrichment, and orthologous analyses.

Subsequently, we implemented structural bioinformatics approaches integrating experimentally resolved protein structures available in PDB and AlphaFold-based predictions for proteins lacking experimental structural data. Using these protein structures, molecular docking and other in silico analyses enabled the identification of a preliminary set of compounds and potential conditions capable of inhibiting these molecular targets as a proof of concept. Future experimental validation studies are expected to confirm the computational findings obtained through this integrative framework.

This event is part of a broader webinar series on user cases of the AlphaFold resources. For more information about the series and its webinars, please visit the following link: AlphaFold in practice: research use cases | EMBL-EBI Training