Advances in Physical Chemistry / 2016 / Article / Tab 8 / 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 pIC
50 , and leverages (
) for the new designed compounds.
Designed compounds Number Descriptors values pIC50 (PRO) Number Descriptors values pIC50 (AMA) R1 = OH; R2 = CH3 N% = 12.490; = 2.232; = 3.099 NHA = 3; NHD = 2; MTI = 3651 TVC = 3.34 10−05 0.571 R1 = 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 0.170 R1 = R2 = OC2 H5 = −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 = CH2 NH2 = −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 0.838 R1 = 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 0.607 R1 = 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 0.309 R1 = 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