Table 2.
Molecular interactions between ACE inhibitors and the N-terminal of ACE1.
ACE Inhibitors | Docked Energy (kcal/mol) | Specific Amino Acids for Hydrophobic Interactions |
---|---|---|
Procyanidin | −9.7 | GLN-259,LYS-489,HIS-491,TYR-498,LYS-432,THR-358,TYR-186,ASP-393,HIS-361,GLU-389,ALA-334,ARG-500,TYR-501,TYR-498 |
Quercetin | −7.7 | TYR-501,TYR-498,HIS-491,GLN-259,GLY-382,ARG-381,ARG-90,TRY-369, ALA-334,HIS-361,SER-357 |
Isoquercitrin | −9.7 | GLN-259,LYS-432,HIS-491,ARG-500,GLU-389,ASP-393,HIS-331,HIS-361,SER-333,GLU-362,TYR-369,ARG-381,ARG-500,HIS-491,TRP-198,THR-97,TYR-186,TYR-111 |
Resveratrol | −7.0 | ARG-381,GLN-259,LYS-489,ARG-500,GLN-81,GLN-444 |
Homoorientin | −8.0 | HIS-365,ALA-334,ALA-332,SER-357,GLY-382,ARG-381,ARG-500, TYR-501,TYR-424,HIS-491,GLN-259 |
Orientin | −8.5 | ARG-381,PRO-385,ALA-334,ASP-393,TRP-201,ASN-203,SER-100,THR-97, TRP-201,GLN-259,LYS-432,ARG-96,GLY-93,ARG-89 |
Isovitexin | −8.5 | ALA-334,TYR-369,PRO-385,ARG-500,TYR-501,SER-35,GLN-62,TYR-24,ARG-90,ALA-101,ARG-96,TYR-197,SER-200,ASN-203,GLN-81 |
Puerarin | −7.9 | HIS-365,ALA-334,HIS-331,TYR-424,ARG-90,THR-97,ALN-81,GLN-259,SER-200 |
Vitexin | −7.5 | GLN-259,TYR-498,TRP-201,TYR-501,HIS-331,TYR-186,TYR-338,ARG-108 |
Cianidanol | −7.6 | SER-260,GLU-431,TYR-498,HIS-491,SER-200,TYR-338,SER-61,ARG-96 |