Job Offers

“Targeting MMP-9 in Cancer Treatment: Computational Design and Experimental Validation of Potent, Safe Antitumor Agents”

The aim of this project is to accelerate the discovery of safe and effective matrix metalloproteinase 9 (MMP 9) inhibitors through advanced AI assisted drug design. We anticipate that the use of state of the art medicinal chemistry software, incorporating both retrosynthetic and forward synthetic algorithms, will enable the generation of novel yet synthetically accessible chemical entities. The workflow will begin with computational modeling to generate hundreds to thousands of candidate molecules, followed by rapid prediction of their binding affinity to the MMP 9 enzyme, as well as evaluation of key pharmacokinetic properties. The most promising compounds will be further assessed using molecular docking to evaluate binding modes and selectivity, and molecular dynamics simulations to estimate the stability of ligand protein interactions. This approach will allow us to prioritize compounds with the highest likelihood of success, namely those combining strong inhibitory activity against MMP 9, selectivity over other MMP isoforms, and favorable drug like and safety profiles. The top candidates will be synthesized in the laboratory and evaluated in cell based assays to confirm their anticancer potential.

The main tasks will involve:

• Computer aided design of active, safe, and selective compounds with potential anticancer activity
• Molecular docking of designed compounds to the active site of selected biological targets (enzymes or proteins)
• Performing molecular dynamics simulations
• Organic synthesis of the most promising compounds, as well as their purification and analysis (e.g., NMR, MS, HPLC)
• In vitro studies of biological activity, in particular inhibitory activity against selected enzymes or cell lines

R2

1

Terms of employment: full-time employment for 12 months with the possibility of extension to 24 months, with salary funded by the NCN grant, 11666,66 PLN (gross gross) ~9700 PLN gross;

The salary level is in line with the compensation guidelines for comparable postdoctoral positions in projects funded by the National Science Centre.

Benefits:

• private medical care package,
• co-financing of sports cards

Career development opportunities: work in a dynamically developing team, access to research infrastructure, professional development in the field of organic synthesis, computational drug design, work with outstanding specialists in the field of organic and computational chemistry, the possibility of cooperation with foreign research centers (e.g. UNIST South Korea), the possibility of further professional development at the IOC PAS, participation in national and international conferences.

Project manager: Dr Anna Żądło-Dobrowolska

Head of Research Group: Prof. Bartosz Grzybowski

e-mail: anna.zadlo@icho.edu.pl

We are an open and inclusive employer – we encourage applications from all individuals, regardless of gender, origin, nationality, or minority background.