Research Article

In Silico Approach Triterpene Glycoside of H. atra Targeting Orotidine 5-Monophosphate Decarboxylase Protein (PfOMPDC) in P. falciparum Infection Mechanism

Table 2

Druglikeness prediction and binding energy of triterpene glycoside compounds of H. atra.

CompoundsLipinskiGhoseVeberEganMueggeBioavailability scoreBinding energy (kJ/mol)

17-Hydroxyfuscocineroside BNo; 3 violations: , , No; 4 violations: , , , No; 2 violations: , No; 1 violation: 6No; 6 violations: , , , , , 0.17-1,098.13
Holothurin A3No; 3 violations: , , No; 4 violations: , , , No; 2 violations: , No; 1 violation: No; 7 violations: , , , , , , 0.17-1,028.04
Holothurin A1No; 3 violations: , , No; 4 violations: , , , No; 2 violations: , No; 1 violation: No; 6 violations: , , , , , 0.17-976.3
Calcigeroside BNo; 3 violations: , , No; 4 violations: , , , No; 2 violations: , No; 1 violation: No; 5 violations: , , , , 0.11-968.27
Fuscocineroside CNo; 3 violations: , , No; 4 violations: , , , No; 2 violations: , No; 1 violation: No; 5 violations: , , , , 0.17-1,002.34
Holothurin BNo; 3 violations: , , No; 3 violations: , , No; 1 violation: No; 1 violation: No; 5 violations: , , , , 0.17-601.18
Echinoside ANo; 3 violations: , , No; 3 violations: , , No; 2 violations: , No; 1 violation: No; 6 violations: , , , , , 0.17-1,010.74
24-Dehydroechinoside BNo; 3 violations: , , No; 3 violations: , , No; 1 violation: No; 1 violation: No; 4 violations: , , 0, 0.17-515.6
Echinoside BNo; 3 violations: , , No; 3 violations: , , No; 1 violation: No; 1 violation: No; 4 violations: , , , 0.17-571.91