• Corpus ID: 27032257

Computational simulations integrating inhibition kinetics of tyrosinase by oxalic acid

  title={Computational simulations integrating inhibition kinetics of tyrosinase by oxalic acid},
  author={Li Yan and Shang-Jun Yin and Daeui Park and Yue Si and Zhi-jiang Wang and Hae Young Chung and Jun-Mo Yang and Guo-Ying Qian and Yong-Doo Park},
  journal={International research journal of pharmacy},
Tyrosinase inhibition studies are important for agricultural and medicinal applications. Computational predictions and enzymatic assays via kinetics may be used to detect effective inhibitors of tyrosinase. We predicted the 3D structure of tyrosinase from Agaricus bisporus , used a docking algorithm to simulate binding between tyrosinase and oxalic acid (OA), and studied the reversible inhibition of tyrosinase by OA. Simulations were successful (binding energies for Dock6.3 = -18.76 and… 

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