From myricetin to the discovery of novel natural human enpp1 inhibitors: a virtual screening, molecular docking, molecular dynamics simulation, and mm/gbsa study

HIGHLIGHTS

• who: Shaohan Song and Zhiyu Shao from the Shanghai Foreign Language School Affiliated to Shanghai International Studies University, Shanghai, China have published the research: From Myricetin to the Discovery of Novel Natural Human ENPP1 Inhibitors: A Virtual Screening, Molecular Docking, Molecular Dynamics Simulation, and MM/GBSA Study, in the Journal: Molecules 2022, 6175 of 20/06/2022
• what: This study provides a strong foundation for the future development of ischemic cardiac injury drugs. Based on these considerations,Glide docking method is applicable to this system. and also the satisfactory docking scores, the authors propose that . . .
  

   

  

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