• Corpus ID: 55029142

Potential antibacterial drug targets for Quercetin and Rutin: An in silicostudy using AutoDock

@inproceedings{Ragunathan2015PotentialAD,
  title={Potential antibacterial drug targets for Quercetin and Rutin: An in silicostudy using AutoDock},
  author={Adhithya Ragunathan and Lokesh Ravi},
  year={2015}
}

• A. Ragunathan, L. Ravi
• Published 2015
• Biology, Chemistry

In this study, we analysed the possible antibacterial drug target and mode of action of quercetin and rutin against Staphylococcus aureus. These flavonoid compounds commonly found in many plants and trees are well known for its antibacterial activity. Eight protein molecules from S.aureus, belonging to various pathways to its cell survivability were chosen. These protein molecules were docked with quercetin and rutin to find the most significant protein target. Quercetin exhibited lowest binding energy of -8.48 Kcal/Mol and Ki value of 605.86 nM against Isoleucyl tRNA Synthetase (IleRS). Rutin exhibited lowest binding energy of -8.72 Kcal/Mol and Ki value of 405.34 nM against Dihydro Folate Reductase (DHFR). This study suggests that the possible mode of action of quercetin is preventing protein synthesis by inhibiting IleRS and possible mode of action of rutin is preventing folic acid synthesis in S.aureus by inhibiting DHFR. This study opens up opportunity for further research on these natural compounds, as it is evident that, these compounds have potential to be used as lead molecules in drug development. These flavonoid compounds need further in vitro study before confirmation of its mechanism of action.