Duyệt theo Tác giả "Dinh, Nguyen Thuy Duyen"
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Tài liệu 3D-Pharmacophore model studies on MexB efflux pump inhibitor of Pseudomonas aeruginosa : Final Report Scientific Research Project Of Student In 2020(Nguyen Tat Thanh University (Faculty of Pharmacy), 2020) Dinh, Nguyen Thuy Duyen; Phan, Thien Vy (Hướng dẫn)From the database of 139 substances in 18 scafford collected from 20 scientific papers, 6 3D Pharmacophore models were built based on ligand: 4 models based on MPC8 value and 2 models based on IC50 value. Then validate models based on sensitivity, specificity, accuracy and GH score and choose the 3 best models to virtual screening on large databases such as DrugBank, Traditional Chinese Medical. In which Model (3) has 4 features: 2 hydrophobic centroids and 2 hydro bonding acceptors HHaa. Model (4) with 4 features: 1 aromatic ring, 1 hydrophobic centroid and 2 hydro bonding acceptors RHAA. Model (5) with 4 feartures: 3 hydrophobic centroids and 1 hydro bonding acceptors HHHa.Tài liệu 3D-Pharmacophore model studies on MexB efflux pump inhibitor of Pseudomonas aeruginosa : Final Report Topics Student Science Research Program In 2020 / ; Phan Thien Vy Science instructor(Nguyen Tat Thanh University (Faculty of Pharmacy), 2020) Dinh, Nguyen Thuy Duyen; Phan, Thien Vy, M.S.Pharm. (Scientific instructor)Research for screening compounds which satisfy all 3 models, will be conduct screening through Qsar model and molecular docking studies on MexAB-OprM crystal structures to find the binding pocket of these. Some suggestions and solutions.