| Information Field | Provided Information |
|---|---|
| Laboratory /Department /Institute /Centre Name | Informatics Institute |
| Brief description of the Centre/Research Group (Please provide a brief description of your research group or organisational unit, including research infrastructure, laboratory facilities, team size and industry collaborations.) | Our research group focuses on the de novo drug design studies covering a broad spectrum of targets, ranging from microbial proteins to disease-associated proteins in humans by utilizing generative AI and molecular modeling methods. We have access to the national high-performance computing center (UHeM) at Istanbul Technical University, where we conduct large-scale molecular dynamics simulations and high-throughput virtual screening using state-of-the-art computational methods. For post-processing, our laboratory is equipped with three dedicated workstation computers. In addition, we have a license for the Schrödinger software suite. By combining these computational resources, we aim to accelerate the identification of potential therapeutic lead molecules against specific proteins. We collaborate with medical microbiologists, medical biologists, pharmaceutical chemists, and medical biophysicists to validate the activity of the molecules against the target proteins. |
| Research Area (Please provide 5–10 keywords that best describe your research areas and expertise.) | Biomolecular Modelling, Computer-Aided Drug Desing, in silico peptide inhibitor design through generative AI, Molecular Dynamics Simulation, Protein-ligand Interactions |
| Please list your relevant previous projects, indicating the programme, project name, year and role. | • Scientific and Technological Research Council of Türkiye (TÜBİTAK) – 1001 Program, Development of novel inhibitors for adeABC efflux pump regulatory proteins adeR and adeS to combat antibiotic resistance of Acinetobacter baumannii, 2024, Researcher • Scientific and Technological Research Council of Türkiye (TÜBİTAK) – 1001 Program, Discovery of mitofusin inhibitors through virtual screening and explanation of their biological mechanisms of action, 2025, Researcher • TÜSEB Group B – Research and Development (R&D) Project Support Program, Design of novel BAM Protein Inhibitor Peptide Antibiotics Using Generative Deep Learning Methods, 2025, Principal Investigator • TÜSEB Group B – Research and Development (R&D) Project Support Program, Development of Non-Sugar-based Molecules Targeting the FimH Lectin Protein of Uropathogenic Escherichia coli (UPEC) Responsible for Urinary Tract Infections, 2025, Principal Investigator • Scientific and Technological Research Council of Türkiye (TÜBİTAK) – 1001 Program, Design of GPX4 Inhibitor Peptides Using Artificial Intelligence and Evaluation of Antitumor Activity in Glioblastoma Cells, 2026, Principal Investigator |
| Proposed Project Idea or Area of Interest (If applicable, please briefly outline a concept idea, the problem you aim to address, or your specific area of interest.) | Designing novel peptides or small molecules for therapeutic and other purposes (biosensors, diagnostics) |
| Potential Contributions to Projects | ☐ Scientific / technical research ☐ Methodology development ☑ Modelling / simulation ☐ Data analysis / artificial intelligence ☐ Experimental studies / testing ☐ Pilot / demonstration activities ☐ Socio-economic analysis / policy contribution ☐ Education, dissemination and impact activities ☐ Other (please specify): |
| Preferred Role in Consortia | ☐ Coordinator ☑ Partner |
| Programmes and Calls of Interest (Please indicate the programme(s) you are interested in and, if possible, specify the call identifier and/or title.) | ☑ Horizon Europe Clusters ☐ Erasmus+ ☑ Digital Europe ☑ EIT (HEI / KIC, etc.) ☑ MSCA ☐ ERC ☐ Other (please specify): |
| Additional Notes (Please provide any additional information or specific remarks you would like to share with the International Projects Office.) |
