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. 2018 Apr 17;8(25):14109–14119. doi: 10.1039/c8ra00889b

The results of potential targets screening with high fit values.

Name Pharmacophore number Pharmacophore Fit value Biological function
KEFT 5dad-02 Kelch-like ECH associated protein 1(Keap1) 3.566 Oxidation25
1uk4-06 Replicase polyprotein 1ab 3.356 Acute respiratory syndrome44
1m4d-05 Aminoglycoside 2′-N-acetyltransferase 3.25 Confer resistance to aminoglycosides45
1o86-02 Angiotensin-converting enzyme 3.22 Treat hypertension46
1tyr-06 Transthyretin 3.17 Tumor and inflammation43
EEASA 5dad-01 Kelch-like ECH associated protein 1 3.69 Oxidation25
1uk4-07 Replicase polyprotein 1ab 3.60 Acute respiratory syndrome44
1o86-01 Angiotensin-converting enzyme 3.33 Treat hypertension46
1tyr-08 Transthyretin 3.29 Tumor and inflammation43
3lbj-09 Mdm4 protein 3.21 Cancer47
2dq7-07 Tyrosine-protein kinase Fyn 3.11 Regulation of cell growth and survival adhesion48
RYDD 5dad-01 Kelch-like ECH associated protein 1 3.62 Oxidation25
1jj7-09 Antigen peptide transporter 1 3.41 Binding of peptide49
1uk4-06 Replicase polyprotein 1ab 3.37 Acute respiratory syndrome44
1m48-04 Interleukin-2 3.28 Regulation of the immune response50
3beg-01 SRSF protein kinase 1 3.18 Cell growth and tumor51
3d9k-08 Protein SCAF8 3.14 mRNA processing52