Comprehensive docking and refinement of human glutaminyl cyclase inhibitors for the drug discovery of alzheimer’s disease

  • At: 2017 FIP Congress in Seoul (South Korea)
  • Type: Poster
  • By: CHOI, Sun (Ewha Womans University, Korea, Republic Of)
  • Co-author(s): Sun Choi:
    Minghua Cui: College of Pharmacy and Graduate School of Pharmaceutical Sciences, Ewha Womans University, Seoul, Korea, Republic Of
    Jongmi Park: College of Pharmacy and Graduate School of Pharmaceutical Sciences, Ewha Womans University, Seoul, Korea, Republic Of
    Jeewoo Lee: College of Pharmacy, Seoul National University, Seoul, Korea, Republic Of
  • Abstract:

    Methods

    In order to investigate the reason of the enhanced activities, we performed docking study of these inhibitors using Glide SP (standard precision). For achieving more accurate docking results, we utilized QM-Polarized Ligand Docking and protein-ligand complex refinement using Local Optimization and Minimization Monte Carlo sampling algorithm ..

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