Phan, Thien Vy (Hướng dẫn)Dinh, Nguyen Thuy Duyen2023-03-242024-08-142023-03-242024-08-142020https://repository.ntt.edu.vn/handle/298300331/336950 p.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.viPseudomonas aeruginosa3D-PharmacophoreMexB effluxTechnical Report