Mechanistic elucidation of amphetamine metabolism by tyramine oxidase from human gut microbiota using molecular dynamics simulations

@article{Kumar2019MechanisticEO,
  title={Mechanistic elucidation of amphetamine metabolism by tyramine oxidase from human gut microbiota using molecular dynamics simulations},
  author={Kundan Kumar and Gaurao V. Dhoke and Ashok K. Sharma and Shubham Jaiswal and Vineet K. Sharma},
  journal={Journal of Cellular Biochemistry},
  year={2019},
  volume={120},
  pages={11206 - 11215}
}
The human gut harbors diverse bacterial species in the gut, which play an important role in the metabolism of food and host health. Recent studies have also revealed their role in altering the pharmacological properties and efficacy of oral drugs through promiscuous metabolism. However, the atomistic details of the enzyme‐drug interactions of gut bacterial enzymes which can potentially carry out the metabolism of drug molecules are still scarce. A well‐known example is the FDA drug amphetamine… 
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