Date of Award
The objective of this study was to use virtual screening with molecular docking to identify potential pan-PPAR ligands from the ZINC database. The 3D structural files of the receptor ligand binding domains (LBD), obtained from the Protein Data Bank (PDB), were energetically minimized and the binding pockets on each LBD were identified and measured. The screening was performed by docking each compound from the lead-like database to the LBD of the three receptors using the AutoDock software.
Ismail, Hamid Dafalla, "Identification Of Pan-Ligands For Peroxisome Proliferator-Activated Receptors (Ppar) Using Computational Virtual Screening With Molecular Docking" (2012). Theses. 86.