TEAM PUBLICATIONS PROJECTS CONTACT LAB
ONGOING PROJECTS;
1. TETRA-CORE – pre-implementation project under Science4Business
The project is implemented under the European Funds for a Modern Economy (FENG) programme and focuses on the development of a new class of 1,5-disubstituted 5-aminotetrazole derivatives covered by the patent WUM EP3679037. The project aims to prepare these compounds for further preclinical development and commercialization as potential new drugs against infections caused by multidrug-resistant microorganisms.
As part of the R&D activities, extended antibacterial activity studies will be conducted on clinical MDR isolates, including MRSA, ESBL+ and Enterobacteriaceae, as well as an analysis of the mechanism of action, including DNA gyrase and topoisomerase IV inhibition assays and molecular modelling. Pharmacokinetic and toxicological studies in vivo as well as a pilot evaluation of efficacy in mouse models of sepsis caused by S. aureus and E. coli are also planned.
An important element of the project is the development of a scalable and more environmentally friendly synthesis method, without the use of mercury(II) chloride, at a scale of up to 10 g, together with full physicochemical characterization of the compounds. The project also includes market analysis and the preparation of a business plan for a future spin-off, with pharmaceutical and biotechnology companies interested in licensing or co-development of the technology as potential recipients of the technology.
TETRA-CORE addresses the growing problem of antimicrobial resistance (AMR) and aims to establish the basis for further development of a new hospital drug intended for the treatment of infections caused by multidrug-resistant microorganisms.
2. INTEGRA 2 – Modelling the response of cancer cells using generative proteomic interaction vectors and AI-based phenotypic prediction
The project is carried out in cooperation with the Faculty of Mathematics and Information Science of the Warsaw University of Technology as part of the INTEGRA initiative. It is an activity focused primarily on supporting in vitro/in vivo research through the modelling of cellular responses using advanced predictive models.
The aim of the project is to build an artificial intelligence model whose task will be to predict the phenotypic outcomes of cell-based assays, expressed on the IC50 scale, for a given molecule and a specific cellular context, including a specific cell line, a defined set of proteins under investigation, and predefined sets of cellular pathways.
A key element will be the use of the model's generative capabilities to create proteome interaction vectors, in which the i-th index corresponds to the i-th protein from the adopted protein set. Such a vector will constitute an approximation of the potential molecular target profile of a given molecule. For the construction of this vector, it is planned to use an appropriately modified, ultra-fast molecular complex structure prediction model, RapidDock, based on the Transformer architecture.
3. Modern drug design using activity cliff–based generative tools
Combines computational design with synthesis and experimental evaluation, enabling more informed identification of promising lead compounds. Includes toxicity prediction to eliminate unsafe candidates early and reduce reliance on animal models in preclinical studies.
4. Design and synthesis of tetrazole–thiourea conjugates with antibacterial activity (including MRSA and Mycobacterium tuberculosis)
The research includes the evaluation of biological activity in in vitro assays against reference and clinical strains, analysis of physicochemical properties (including lipophilicity and logD), as well as ADMET parameters, and molecular modeling to determine the potential mechanism of action. An important component is also the assessment of the safety of the studied compounds, including cytotoxicity studies and their effects on cells.
5. Synthesis of maleimid-piperazines and evaluation of their activity on the central nervous system
The research includes the analysis of cytotoxicity and in vivo studies using the zebrafish (Danio rerio) model, including the assessment of embryotoxicity, as well as effects on development and behavioral responses. Additionally, in silico predictions of the pharmacokinetic and toxicological properties of the studied compounds are conducted.
6. Experimentally assisted design of new 4-thiazolidinone derivatives with anticancer activity using synthesis, biological studies, and QSAR models in a Hit-to-Lead strategy
The research is carried out as part of the internal grant of the Medical University of Warsaw, “Young Researcher”. The project includes the design and synthesis of new 4-thiazolidinone derivatives, evaluation of their biological activity, and the use of QSAR models in a Hit-to-Lead strategy aimed at the identification and further optimization of compounds with potential anticancer activity.
COMPLETED PROJECTS:
1. Retrospective non-interventional study combined with pharmacoeconomic modeling (Project number 1M9/UK1/463/23)
Conducted at the Department of Experimental and Clinical Pharmacology, Medical University of Warsaw.
2. Synthesis and biological evaluation of new thiazolidinone derivatives with anticancer potential
Conducted within the “Młody Badacz” internal grant program at the Medical University of Warsaw, integrating synthetic chemistry, cancer biology, and computational drug design.