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Table 6 Top scoring of QN, CQ and 8 Amino-QN analogous screened using the selected pharmacophore hypothesis

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

IUPAC Name G-Score (kcal/mol) Align Score Vector Score Volume Score Fitness Predicted activity (pIC50)
(9S)-Cinchonan-9-ol -4.18 0.8099 0.5259 0.4368 1.2878 5.521
(9S)-6′-Methoxycinchonan-9-ol -5.47 1.0187 0.7020 0.2737 1.1268 5.85
N-(7-Chloro-4-quinolinyl)-N’-ethyl-1,4-butanediamine -3.84 0.1101 0.9993 0.5 2.4075 5.98
1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-Chloroquine -3.52 0.1053 0.9983 0.4755 2.3861 5.86
PrimaquineN4-(6-Méthoxy-8-quinoléinyl)-1,4-pentanediamine -5.14 0.5014 0.9017 0.4005 1.8844 5.75
N4-{2,6-Diméthoxy-4-méthyl-5-[3-(trifluorométhyl)phénoxy]-8-quinoléinyl}-1,4-pentanediamine -5.32 0.5274 0.9118 0.2755 1.7478 5.67