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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