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Background   Bacopa monnieri  Linn. (Plantaginaceae), a well-known medicinal plant, is widely used in traditional medicine system. It has long been used in gastrointestinal discomfort, skin diseases, epilepsy and analgesia. This research investigated the  in vitro  antimicrobial activity of  Bacopa monnieri  leaf extract against  Staphylococcus aureus  and the interaction of possible compounds involved in this antimicrobial action .Methods  Non-edible plant parts were extracted with ethanol and evaporated  in vacuo  to obtain the crude extract. A zone of inhibition studies and the minimum inhibitory concentration (MIC) of plant extracts were evaluated against clinical isolates by the microbroth dilution method. Docking study was performed to analyze and identify the interactions of possible antimicrobial compounds of  Bacopa monnieri  in the active site of penicillin binding protein and DNA gyrase through GOLD 4.12 software.    Results  A zone of inhibition studies showed significant ( p  < 0.05) inhibition capacity of different concentrations of  Bacopa monnieri ’s extract against  Staphylococcus aureus . The extract also displayed very remarkable minimum inhibitory concentrations (≥16 μg/ml) which was significant compared to that (≥75 μg/ml) of the reference antibiotic against the experimental strain  Staphylococcus aureus . Docking studies recommended that luteolin, an existing phytochemical of  Bacopa monnieri,  has the highest fitness score and more specificity towards the DNA gyrase binding site rather than penicillin binding protein.    Conclusions   Bacopa monnieri  extract and its compound luteolin have a significant antimicrobial activity against  Staphylococcus aureus . Molecular binding interaction of an  in silico  data demonstrated that luteolin has more specificity towards the DNA gyrase binding site and could be a potent antimicrobial compound.

Molecular docking and inhibition studies on the interactions of Bacopa monnieri’s potent phytochemicals against pathogenic Staphylococcus aureus