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Table 5 Comparison between 6TC and the five top hits selected from virtual screening with their docking scores, IFD docking scores, mapping pharmacophore features, pharmacophore fit values, and estimated activities

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

  1. The hydrogen bond acceptor (HBA) is colored green, the ring aromatic (RA) is orange, the positive ionizable feature (PI) is red, and the hydrophobic area (HYD) is cyan
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BMC Chemistry

ISSN: 2661-801X

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