Irina P. Grabovec

Intermolecular interactions of CYP3A enzymes and cytosolic sulfotransferases (SULT1E1, SULT2A1)

This study identifies direct physical interactions between CYP3A4/3A5 and SULT1E1/2A1 using SPR, activity assays, and AlphaFold2 modeling, revealing potential substrate channeling mechanisms.

Diverse Ligands for Mycobacterial CYP124 Identified from Plant and Marine Compounds

The paper identifies nine novel non-azole ligands for Mycobacterium tuberculosis CYP124 from plant and marine compounds, revealing potential for mechanism-based tuberculosis inhibitors.

True-atomic-resolution insights into the interactions of antibiotic rifampicin and rifamycin derivatives with orphan CYP143 of M.tuberculosis.

The paper investigates the interaction of rifampicin and related compounds with CYP143 in M. tuberculosis, revealing binding modes and structural insights into resistance mechanisms.