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. 2023 Jan 4;28(2):474. doi: 10.3390/molecules28020474

Figure 3.

Figure 3

HIV gp120 of recombinant clade A/E-NP-005114 complex interaction profile. (A) Molecular representation of HIV gp120 of recombinant clade A/E in complex with compound NP-005114 (represented as sticks, firmly docked into CD4-bs (colored hot pink) of HIV gp120). (B) Protein–ligand interaction profile evaluated using LIGPLOT. In (B), the green dotted lines represent hydrogen bond interactions, while red arcs with spikes represent hydrophobic interactions. Residues of the receptor are shown as orange lines with black and red dots, while the ligand is shown as purple lines with black and red dots. Ligand NP-005114 had 9 hydrogen bonds and 11 hydrophobic bonds with residues in the CD4-bs of HIV gp120.