From algorithms to antibiotics: AI-based drug design for diabetic foot infections

Abstract:

Antimicrobial resistance (AMR) is a growing global health crisis that threatens the effectiveness of treatments against infections once easily cured. It is largely driven by the misuse and overuse of antibiotics in human medicine, agriculture, and animal husbandry, which accelerates the evolution of resistant microorganisms. As existing drugs become less effective, common infections and minor injuries can become life-threatening. This situation underscores the urgent need to develop new antibiotics and alternative therapies to keep pace with evolving pathogens. Addressing this challenge requires not only new antibiotics, but also innovative, interdisciplinary strategies that bridge computational design and experimental validation.

Artur will introduce his doctoral research project, conducted within the SONATA 19 grant funded by the National Science Centre (NCN), Poland (grant no. 2023/51/D/NZ7/0259). The project is being carried out at the Łukasiewicz Research Network – Krakow Institute of Technology in collaboration with Sano – Centre for Computational Personalized Medicine. By integrating computer-aided drug design with microbiological and biochemical assays, this work aims to accelerate the discovery and characterization of small-molecule compounds active against Gram-positive pathogens, including MRSA. The approach enables the identification of compounds with selective antibacterial activity and the potential to enhance the efficacy of existing antibiotics, opening new avenues for combination therapies.

About the authors:

Artur Blat earned his M.Sc. in Biochemistry from the Jagiellonian University in 2022. Currently, he is a Ph.D. student at Jagiellonian University and is conducting his doctoral project in cooperation with Łukasiewicz Research Network – Krakow Institute of Technology (Nanomaterials and Medical Biotechnology Research Group). Artur’s research interests include infection biology, structure-based drug design, and protein biochemistry. His current project focuses on identifying new therapeutic strategies for treating diabetic foot infections. Artur also has experience in the biotechnology industry, having worked at Selvita. He has completed several international research internships at leading institutions, including the Weizmann Institute of Science (Israel) and Ruhr University Bochum (Germany). He is a co-author of multiple peer-reviewed scientific publications, including articles published in high-impact journals such as Nature Communications.

Adam Sułek Postdoctoral Researcher in Structural and Functional Genomics Group)

Adam Sułek earned his Ph.D. in Chemistry from the Jagiellonian University in 2022. His interdisciplinary research was conducted in collaboration with the Lukasiewicz Research Network – Kraków Institute of Technology and the Faculty of Mathematics and Computer Science at the Jagiellonian University. Adam’s research interests include molecular processes in tumor proliferation, computer-aided drug design, and structural biology.

Currently, he is working on a project that examines cell cycle dysregulation, specifically involving BRCA and CDK, which leads to uncontrolled cell proliferation. Another of his projects focuses on understanding protein thermostability and exploring the use of Protein Language Models in this field.