3D-Pharmacophore model studies on MexB efflux pump inhibitor of Pseudomonas aeruginosa : Final Report Scientific Research Project Of Student In 2020

Tác giả
Dinh, Nguyen Thuy Duyen
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Tạp chí ISSN
Nhan đề tập
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
Pseudomonas aeruginosa , 3D-Pharmacophore , MexB efflux
Trích dẫn
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