DOCKING AGAINST NOSOCOMIAL INFECTION-STAPHYLOCOCCUS EPIDERMIDIS
Keywords:
Nosocomial infection, Staphylococcus epidermidis, Mcule, Epidermin decarboxylase, CeftarolineAbstract
Objective: Nosocomial infections are acquired by immuno-compromised patients in hospitals which seem to be the serious health problem in recent times. Staphylococcus epidermidis, the commensal bacterium inhabiting human skin emerges as the most common opportunistic nosocomial pathogen due to its ability to form biofilms on medical devices. Biofilm acts as a mask against attacks from an immune system which leads in difficulty to eradicate. Several research works have been going on to find out the effective drug against hospital acquired infections since these pathogens are resistant to several antibiotics like methicillin, penicillin and amoxicillin. Using docking tools, an attempt has been made to find out the most potential drug against the nosocomial pathogen - Staphylococcus epidermidis.
Methods: Using mcule online docking server, several drugs like linezolid, ceftaroline, rastomycin, vancomycin, nitrofurantoin, trimethoprim sulfamethoxazole, allicin and gallic acid were selected to dock against epidermin decarboxylase (Staphylococcus epidermidis).
Results: Ceftaroline showed the lowest docking energy of -10.2 Kcal/mol against the target protein of Staphylococcus epidermidis (Table 1 and Figure 1) followed by Linezolid, Allcin and Rastomycin.
Conclusion: By comparing the docking scores against the selected target, ceftaroline could be suggested as potential drug against coagulase negative Staphylococcus epidermidis infection.
Downloads
References
Grace Emori T, Robert P Gaynes. An overview of nosocomial infections, including the role of the microbiology laboratory. Clin Microbiol Rev 1993;6(4):428-42.
Zhiqiang Qin, Jian Zhang, Bin Xu, Lili Chen, Yang Wu, Xiaomei Yang, et al. Structure-based discovery of inhibitors of the YycG histidine kinase: New chemical leads to combat Staphylococcus epidermidis infections. BMC Microbiol 2006;6:96.
Blaesse M, Kupke T Huber, R Steinbacher S. Crystal structure of the peptidyl-cysteine decarboxylase EpiD complexed with a pentapeptide substrate. EMBO J 2000;19:6299-310.
Otto M, Peschel A, Gotz F. Producer self-protection against the lantibiotic epidermin by the ABC transporter Epi FEG of Staphylococcus epidermidis Tu3298. FEMS Microbiol Lett 1998;166:203-11.
Oda A, Takahashi O. Validation of Argus Lab efficiencies for binding free energy calculations. Chem-Bio Inf J 2009;9:52-61.