Journal of Chemical and Pharmaceutical Research (ISSN : 0975-7384)

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Original Articles: 2011 Vol: 3 Issue: 3

Molecular docking of medicinal compound Lupeol with autolysin and potential drug target of UTI


Staphylococcus aureus has gained much attention in the last few decades as it is a major cause of the Urinary Tract Infection in Diabetic patients. Autolysins are bactereolytic enzymes that lysis cell wall peptidoglycan of the bacteria, which involved in cell division, cell growth etc. Present study has been carried out to predict the anti-bacterial activity of the compound Lupeol from Elephantopus scaber by using docking studies. Molecular docking is routinely used for understanding the drug-receptor interactions in modern drug design. Autolysin and the Lupeol were docked using Discovery studio software and calculated energy value, hydrogen bond interactions and libdock score. Results indicated that this compound can inhibit the activity of autolysin by forming a strong interaction with the active site residues. Further studies are needed to illustrate its activity under in- vitro conditions.

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