The constant increase in the emergence of multidrug resistance among Staphylococcus aureus strains threatens public health. The study aimed at evaluating the anti-S. aureus activity, pharmacokinetic properties and interactions of compounds from Erianthemum dregei with proteins in S. aureus. Anti-S. aureus activity was investigated by broth dilution method while gas chromatography-mass spectrometry (GC-MS) was used to identify the compounds. The drug-likeness, pharmacokinetic and toxicity profiles of the compounds were predicted by SwissADME and PreADMET tools. AutoDock Vina was used to assessing the binding affinities of the docked ligand-receptor complexes. The extract revealed the minimum inhibitory concentration value of 0.78 mg/mL. Phytol (93.58%) and 3-tetradecyn-1-ol (6.42%) were the revealed constituents. In-silico predictions suggested both compounds to have drug-like properties as they adhered to the Lipinski's rule of five. Phytol was found to have non-mutagenic effects, while 3-tetradecyn-1-ol was predicted to be mutagenic. The compounds were non-carcinogenic on mice model and carcinogenic on rat`s. Phytol has a binding affinity to DNA-gyrase and FtsZ with docking energy values of -4.1 and -5.3 kcal/mol, respectively, whereas the docking scores for 3-tetradecyn-1-ol against DNA-gyrase and FtsZ were -3.9 and -5.0 kcal/mol. The results revealed the extract to have a noteworthy activity against S. aureus, with its identified compounds having desirable pharmacokinetics.
INTRODUCTION:Staphylococcus aureus is a member of the family Micrococcaceae that are characterized as catalase-positive and Grampositive aerobic cocci 1 . S. aureus is known known to cause clinical manifestations such pneumonia, endo-carditis, toxic shock syndrome, cellulitis, abscesses and impetigo at varying severity in humans 2 . Its infections are most predominant in developing countries, especially among the elderly, young children, and immunosuppressed people 3 .