Molecular Docking Studies of the Constituents Present in the Essential Oil of Plectranthus hadiensis against Bacterial Proteins

Author(s): Sripathi R and Ravi S

Plectranthus is a large and widespread genus with a diversity of the ethnobotanical uses. In traditional medicine, the juice of stem and leaves of Plectranthus hadiensis when mixed with honey, is used as a remedy for diarrhea. The chemical composition of the essential oil of Plectranthus hadiensis is determined by GC-MS analysis and the antimicrobial efficacy of the oil has evaluated in the previous studies. The aim of the present study is to carryout molecular docking of the essential oil constituents against the bacterial proteins present in murD ligases 1UAG, 2X5O, 3UDI and 3TYE a dihydropteroate synthase enzyme. Caryophyllene, germacrene and cubebene are found to be more effective. These compounds act on multi targets and serve as antibacterial agents.

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