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Table 5 Prediction of pIC50 Value of current antimalarial drugs described in the WHO

From: 3D QSAR, pharmacophore and molecular docking studies of known inhibitors and designing of novel inhibitors for M18 aspartyl aminopeptidase of Plasmodium falciparum

Compound ID Generic Name G-Score (kcal/mol) Align Score Vector Score Volume Score Fitness Predicted activity (pIC50)
CHEMBL76 Chloroquine -3.80 0.1086 0.9996 0.5197 2.4288 6.208
CHEMBL1535 Hydroxychloroquine -4.53 0.1995 0.9973 0.3341 2.1652 6.207
CHEMBL303933 Piperaquine -5.30 0.2720 0.9781 0.3049 2.0563 6.19
CHEMBL506 Primaquine -5.86 0.4463 0.8889 0.4954 2.0124 6.192
CHEMBL2104009 Amquinate -5.41 0.6142 0.9499 0.355 1.7931 6.205
CHEMBL416956 Mefloquine -5.28 0.5712 0.7183 0.3248 1.5672 6.20
CHEMBL682 Amodiaquine -4.48 0.6480 0.7838 0.2687 1.5126 6.385
CHEMBL36 Pyrimethamine -5.07 0.9521 0.9257 0.3390 1.4712 6.207
CHEMBL339049 Tebuquine -4.55 0.6093 0.7422 0.2286 1.4630 6.264
CHEMBL35228 Pyronaridine -5.68 0.6975 0.8185 0.2050 1.4422 6.198