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Table 2 Drug-protein hydrogen bond interactions in human PDE5 and M.tb proteins

From: Three-dimensional models of Mycobacterium tuberculosis proteins Rv1555, Rv1554 and their docking analyses with sildenafil, tadalafil, vardenafil drugs, suggest interference with quinol binding likely to affect protein’s function

Drug Drug atom labels Human PDE5 residues (atom label) Drug atom labels M.tb dimer protein residues (atom label) M.tb dimer proteins (Rv1555/Rv1554)
Sildenafil (Viagra) N22
O27
N29
Gln817 (OE1)
Gln817 (NE2) (solvent mediated interactions with Asp764 main and side chain, Ala767 main chain & Tyr612 side chain)
O27
N22
O3
O27
Arg85 (NE)
Arg25 (NH1)
Arg25(NH2)
Glu26 (OE2)
Rv1555
Rv1554
Rv1554
Rv1554
Tadalafil (Cialis) N9 Gln817 (OE1) O28
O32
Arg89 (NH1)
Ser24 (OG)
Rv1554
Rv1555
Vardenafil (Levitra) N22
O27
O12 (in SO2)
Gln817 (OE1)
Gln817 (NE2) (solvent mediated interactions with Ser663 main chain)
O27
O27
N22
O12 (in SO2)
Arg85 (NE)
Glu26 (OE2)
Arg25 (NH1)
Arg89 (NH1)
Rv1555
Rv1554
Rv1554
Rv1554