Molecular modeling and docking studies on OXA-10 enzyme of Acinetobacter baumannii

The strains of Acinetobacter spp. producing Oxacillinase enzyme pose a crucial threat to clinicians worldwide due to limited treatment options against these strains. A 3D model of OXA-10 enzyme from A. baumannii was successfully predicted and its interaction with six different protease inhibitor compounds of cyanobacterial origin was studied. Among the six compounds tested, kempopeptin showed the good atomic contact energy and effective binding with OXA-10 enzyme, which indicate its ability to hydrolyze oxacillinase enzymes. Thus, this compound may be helpful in reducing the burden of infections caused by oxacillinase producing members of Acinetobacter spp, if used in combination with standard antibiotics.