Research Article

Investigation of Antileishmanial Activities of Acridines Derivatives against Promastigotes and Amastigotes Form of Parasites Using Quantitative Structure Activity Relationship Analysis

Table 8

Values of descriptors, antileishmanial activity pIC50, and leverages () for the new designed compounds.

Designed compoundsNumberDescriptors valuespIC50 (PRO)NumberDescriptors valuespIC50 (AMA)

R1 = OH; R2 = CH3
N% = 12.490; = 2.232; = 3.099 
NHA = 3; NHD = 2; MTI = 3651 
TVC = 3.34 10−05
0.571R1 = OCH3; R2 = CF3  
= −5.235; CT = 885.365; = 9.302;  
= 581.430; NHA = 6; NHD = 1
1.395
R1 = OH; R2 = CF3  
= −5.312; CT = 903.801; = 12.056;  
= 647.130; NHA = 6; NHD = 2
0.998
R1 = OCH3; R2 = F 
= −5.034; CT = 893.897; = 10.174;  
= 566.560; NHA = 4; NHD = 1
0.485
R1 = OH; R2 = OH 
N% = 12.380; = 1.080; = 3.131 
NHA = 4; NHD = 3; MTI = 3497 
TVC = 1.49 10−05
0.170R1 = R2 = OC2H5  
= −4.696; CT = 927.241; = 11.222;  
= 622.010; NHA = 4; NHD = 1
0.464
R1 = R2 = OCH3  
= −4.731; CT = 916.967; = 11.469;  
= 599.470; NHA = 4; NHD = 1
0.442
R1 = OCH3; R2 = OC(CH3)3  
= −4.872; CT = 928.656; = 11.099;  
= 635.700; NHA = 4; NHD = 1
0.109
R1 = OCH3; R2 = CH2NH2  
= −4.801; CT = 934.561; = 14.185; 
= 660.500; NHA = 4; NHD = 2
0.122

R1 = OH; R2 = meta-NH2
N% = 11.250; = 5.944; = 3.392 
NHA = 5; NHD = 3; MTI = 17128 
TVC = 2.23 10−08
0.838R1 = OCH3; R2 = para, meta -F: 
= −5.081; CT = 1006.097; = 13.267; = 762.370; NHA = 6; NHD = 1
0.308
R1 = OCH3; R2 = para-NH2
N% = 10.850; = 7.114; = 3.295 
NHA = 5; NHD = 2; MTI = 19138 
TVC = 2.04 10−08
0.607R1 = OCH3; R2 = para NH2: 
= −4.966; CT = 1066.417;  
= 16.853; = 831.93; NHA = 5; NHD = 2
0.199
R1 = OCH3; R2 = meta-NH2
N% = 10.850; = 6.193; = 3.353 
NHA = 5; NHD = 2; MTI = 18992 
TVC = 2.04 10−08
0.309R1 = OCH3; R2 = meta NH2: 
= −4.993; CT = 1066.417; = 16.853; = 831.930; NHA = 5; NHD = 2
0.166
R1 = OH; R2 = H 
N% = 7.820; = 5.631; = 3.483 
NHA = 4; NHD = 2; MTI = 15585 
TVC = 4.47 10−08
0.381