Lead generation of UPPS inhibitors targeting MRSA: Using 3D-QSAR pharmacophore modeling, virtual screening, molecular docking, and molecular dynamic simulations

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作者
Basma M. Qandeel
Samar Mowafy
Khaled Abouzid
Nahla A. Farag
机构
[1] Misr International University,Pharmaceutical Chemistry Department, Faculty of Pharmacy
[2] Ain-Shams University,Department of Pharmaceutical Chemistry, College of Pharmacy
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BMC Chemistry | / 18卷
关键词
Antibacterial; UPPS; Methicillin-resistant ; Bacterial resistance; HypoGen algorithm; Molecular docking; 3D QSAR pharmacophore; Dynamic simulations; Drug repurposing;
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