Modeling the QSAR of ACE-Inhibitory Peptides with ANN and Its Applied Illustration
Table 2
The ACE-inhibitory peptides’ sequences with Z descriptor activity.
Peptide
Log(1/IC50)
Z 12
Z 13
Z 21
Z 22
Z 23
AA
3.21
0.07
−1.73
0.09
0.07
−1.73
0.09
AW
5
0.07
−1.73
0.09
−4.75
3.65
0.85
DG
1.85
3.64
1.13
2.36
2.23
−5.36
0.3
GF
3.2
2.23
−5.36
0.3
−4.92
1.3
0.45
GP
3.35
2.23
−5.36
0.3
−1.22
0.88
2.23
GR
2.49
2.23
−5.36
0.3
2.88
2.52
−3.44
GW
4.52
2.23
−5.36
0.3
−4.75
3.65
0.85
GY
3.68
2.23
−5.36
0.3
−1.39
2.32
0.01
IF
3.03
−4.44
−1.68
−1.03
−4.92
1.3
0.45
IW
5.7
−4.44
−1.68
−1.03
−4.75
3.65
0.85
IY
5.43
−4.44
−1.68
−1.03
−1.39
2.32
0.01
RF
3.64
2.88
2.52
−3.44
−4.92
1.3
0.45
RP
1.1818
2.88
2.52
−3.44
−1.22
0.88
2.23
VG
2.96
−2.69
−2.53
−1.29
2.23
−5.36
0.3
VW
1.6
−2.69
−2.53
−1.29
−4.75
3.65
0.85
VY
4.66
−2.69
−2.53
−1.29
−1.39
2.32
0.01
YG
2.7
−1.39
2.32
0.01
2.23
−5.36
0.3
RW
4.8
2.88
2.52
−3.44
−4.75
3.65
0.85
AY
4.28
−2.69
−2.53
−1.29
−4.92
1.3
0.45
RP
3.89
−4.44
−1.68
−1.03
−1.22
0.88
2.23
AF
3.72
0.07
−1.73
0.09
−4.92
1.3
0.45
AP
3.64
0.07
−1.73
0.09
−1.22
0.88
2.23
VP
3.38
−2.69
−2.53
−1.29
−1.22
0.88
2.23
IG
2.92
−4.44
−1.68
−1.03
2.23
−5.36
0.3
GI
2.92
2.23
−5.36
0.3
−4.44
−1.68
−1.03
GM
2.85
2.23
−5.36
0.3
−2.49
−0.27
−0.41
GA
2.7
2.23
−5.36
0.3
0.07
−1.73
0.09
GL
2.6
2.23
−5.36
0.3
−4.19
−1.03
−0.98
AG
2.6
0.07
−1.73
0.09
2.23
−5.36
0.3
GH
2.51
2.23
−5.36
0.3
2.41
1.74
1.11
KG
2.49
2.84
1.41
−3.14
2.23
−5.36
0.3
FG
2.43
−4.92
1.3
0.45
2.23
−5.36
0.3
GS
2.42
2.23
−5.36
0.3
1.96
−1.63
0.57
GV
2.34
2.23
−5.36
0.3
−2.69
−2.53
−1.29
MG
2.32
−2.49
−0.27
−0.41
2.23
−5.36
0.3
GK
2.27
2.23
−5.36
0.3
2.84
1.41
−3.14
GE
2.27
2.23
−5.36
0.3
3.08
0.39
−0.07
GT
2.24
2.23
−5.36
0.3
0.92
−2.09
−1.4
WG
2.23
−4.75
3.65
0.85
2.23
−5.36
0.3
HG
2.2
2.41
1.74
1.11
2.23
−5.36
0.3
GQ
2.15
2.23
−5.36
0.3
2.18
0.53
−1.14
GG
2.14
2.23
−5.36
0.3
2.23
−5.36
0.3
QG
2.13
2.18
0.53
−1.14
2.23
−5.36
0.3
SG
2.07
1.96
−1.63
0.57
2.23
−5.36
0.3
LG
2.06
−4.19
−1.03
−0.98
2.23
−5.36
0.3
GD
2.04
2.23
−5.36
0.3
3.64
1.13
2.36
TG
2
0.92
−2.09
−1.4
2.23
−5.36
0.3
EG
2
3.08
0.39
−0.07
2.23
−5.36
0.3
PG
1.77
−1.22
0.88
2.23
2.23
−5.36
0.3
LA
3.51
−4.19
−1.03
−0.98
0.07
−1.73
0.09
KA
3.42
2.84
1.41
−3.14
0.07
−1.73
0.09
RA
3.34
2.88
2.52
−3.44
0.07
−1.73
0.09
YA
3.34
−1.39
2.32
0.01
0.07
−1.73
0.09
FR
3.04
−4.92
1.3
0.45
2.88
2.52
−3.44
HL
2.49
2.41
1.74
1.11
−4.19
−1.03
−0.98
DA
2.42
3.64
1.13
2.36
0.07
−1.73
0.09
EA
2
3.08
0.39
−0.07
0.07
−1.73
0.09
DM
2.7782
3.64
1.13
2.36
−2.49
−0.27
−0.41
IP
3.89
2.92
−4.44
−1.68
−1.22
0.88
2.23
*
the first number (m) behind Z represents the sequence of the amino acid in peptide, and the second number (n, from 1 to 3) represents the hydrophilic amino acids, three-dimensional shape, size, and electrical parameters, respectively.
