Table 2.

Predicted free energies of binding (ΔG_298K, kcal/mol) of ligands with NOS isozymes (L-arginine/1400 W X-ray crystallographic structures)^a.

Ligand	eNOSb	iNOSc	nNOSd
L-arginine	−10.32/−9.31	−10.64/−10.21	−7.78/−8.43
1400 W	−10.37/−10.34	−10.68/−11.56	−8.62/−10.26
5	−9.99/−10.11	−10.07/−10.75	−8.29/−9.88
6	−9.73/−9.88	−9.76/−10.09	−8.83/−9.77

^aDocking performed by Swissdock.ch [3,8].

^beNOS L-arginine PDB: 4D1O; 1400 W PDB: 1FOI.

^ciNOS L-arginine PDB: 1NSI; 1400 W PDB: 1QW5.

^dnNOS L-arginine PDB: 4D1N; 1400 W PDB: 1QWC.