Insilico interaction analysis of herbal bioactive molecules with Penicillin binding protein in staphylococcus aureus

Staphylococcus aureus is an opportunistic bacterial pathogen associated with asymptomatic colonization of the skin and mucosal surfaces of normal humans. Staphylococcus aureus isolates are often multidrug resistant. Antibiotics resistant Staphylococcus aureus is an emerging concern in the medical field. Due to their increasing resistance to numerous antibiotics, screening for alternate compound is required. Penicillin binding protein (PBP) was considered as an essential drug target for inhibiting bacterial growth. Molecular docking studies were performed to identify the lead molecule against Penicillin binding protein. Interaction of PBP with the plant derived compounds indicates the effective interaction of rosmarinic acid with highest fitness score and maximum number of hydrogen bonds (h-bonds). The study concludes that rosmarinic acid may be effective as an inhibitor for PBP and hence, can be regarded as a potential drug candidate for treating β-lactam resistant Staphylococcus aureu