3D-Pharmacophore model studies on MexB efflux pump inhibitor of Pseudomonas aeruginosa : Final Report Scientific Research Project Of Student In 2020
Năm xuất bản
2020
Tác giả
Nhan đề tạp chí
ISSN
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Nhà xuất bản
Nguyen Tat Thanh University (Faculty of Pharmacy)
Tóm tắt
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.
Mô tả
50 p.
Từ khóa chủ đề
Pseudomonas aeruginosa, 3D-Pharmacophore, MexB efflux