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.Tài liệu 3D-Pharmacophore model studies on MexB efflux pump inhibitor of Pseudomonas aeruginosa : Graduate Thesis for Pharmacist, Majors of Medicine Administration and Supply(Nguyen Tat Thanh University, 2020) Dinh, Nguyen Thuy Duyen; Phan, Thien Vy (Scientific instructor)3D-Pharmacophore models are successfully built and screened for potential substances. The study suggests screening through Qsar and Docking models, then conducting in vitro and in vivo tests to determine their true biological activity on impacted target and discover additional compounds with MexAB-OprM inhibitory activity