Staphylococcus aureus is the most common cause of staph infections such as pneumonia, meningitis, osteomyelitis endocarditis, toxic shock syndrome (TSS) and septicemia. Sortase is an important protein involves in the membrane formation and shape determination in Staphylococcus aureus. We have measured the sortase content in control, Carrier control and experimental groups and found reduction in experimental groups. Using the 3-D structure of Sortase (PDB ID: 4O8L) from Staphylococcus aureus as target we evaluated the binding efficacy of inhibitors with MVD software. The inhibitor binding positions and affinities were determined using MVD scoring fitness functions. With this model, a flexible docking study of Sortase enzyme with derivatives was performed which showed best docking result. Our results may be helpful for further experimental investigations.
Sortase, Docking, Staphylococcus, MVD software