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

Table 2 The inter-features of the valid pharmacophore model: constraint distances and angles

Features	Constraint Distance (Å)
HYDROPHOBIC_3.11: HBA_1.21 HYDROPHOBIC_3.11: RING_AROMATIC_4.21 HYDROPHOBIC_3.11: HYDROPHOBIC_2.11 RING_AROMATIC_4.21: HYDROPHOBIC_2.11 RING_AROMATIC_4.21: HBA_1.21 HBA_1.21: HYDROPHOBIC_2.11	5.515 11.065 15.144 4.347 6.089 9.314

	Constraint Angles (°)
HYDROPHOBIC_3.11, HBA_1.21, RING_AROMATIC_4.21 RING_AROMATIC_4.21, HBA_1.21, HYDROPHOBIC_2.11 HYDROPHOBIC_2.11, RING_AROMATIC_4.21, HYDROPHOBIC_3.11	18.43 23.68 6.67

ISSN: 2661-801X