Table 2. AutoDock Vina results for docking DRV and LPV against wild-type HIV PR, 6s-98S FIV PR and wild-type FIV PR.

Crystal structures of the targets are labeled by their PDB accession codes. 1mui is a lopinavir-bound crystal structure of wild-type HIV protease (Stoll et al., 2002 ▶). 2ien is a darunavir-bound crystal structure of wild-type HIV protease (Tie et al., 2004 ▶). 3kfn is a complex of wild-type HIV protease with TL-3 and allosteric fragment 4D9 (Perryman et al., 2010 ▶). 1b11 is a TL-3-bound crystal structure of wild-type FIV protease (Li et al., 2000 ▶). 4fiv is an Lp-130-bound crystal structure of wild-type FIV protease (Kervinen et al., 1998 ▶). All energies are in kcal mol⁻¹ (1 kcal mol⁻¹ = 4.184 kJ mol⁻¹).

Target structure	DRV results	LPV results
Wild-type HIV 1mui	−9.7	−10.9
Wild-type HIV 2ien	−9.0	−10.3
Wild-type HIV 3kfn	−9.1	−10.3
Average of three wild-type HIV crystal structures	−9.28	−10.5
FIV 6s-98S–DRV crystal	−9.2	−10.5
FIV 6s-98S–LPV crystal	−8.4	−10.3
Average of two FIV 6s-98S crystal structures	−8.8	−10.4
Wild-type FIV 1b11	−8.4	−10.3
Wild-type FIV 4fiv	−8.5	−10.3
Average of two wild-type FIV crystal structures	−8.45	−10.3