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. 2023 May 8;24(9):8454. doi: 10.3390/ijms24098454

Figure 2.

Figure 2

(A) Docking of Bisartan-D (bearing the butyl group at position 2 of imidazole and two symmetric N,N′ biphenyl tetrazoles) and of a chlorinated bisartan, BisC (bisalkylated losartan), to the critical interfacial region between the ACE2 receptor (Van der Waals surface) and the SARS-CoV-2/RBD (PDB ID: 6LZG). (B) The BisC binding motif involved pi/pi (red lines), pi/cation (blue lines), and hydrogen bonding (thick dashed lines) interactions with the SARS-CoV-2 RBD residues (yellow spheres). The binding of BisC to the ACE2 interfacial region was dominated by hydrophobic interactions (green lines) and secondarily by pi–cation interactions (blue lines) to Arg393. Graph by Ridgway et al. [22].