Skip to main content

Table 3 Isoliensinine exhibits preferential interaction with four mitotic protein kinases

From: Isoliensinine from Cissampelos pariera rhizomes exhibits potential gametocytocidal and anti-malarial activities against Plasmodium falciparum clinical isolates

Plasmodium target

PlasmoDB ID

Isoliensinine Binding Affinity (kCal/mol)

Interaction residues

PfNek1

Pf3d7_0525900

− 10.8

Phe157, Gln154, Met197, Cys201, Ile192, Arg149, Asp150, Lys152, Tyr207, Pro153, Thr204

PfClk1

Pf3d7_1445400

− 10.0

Leu684, Asp720, Glu596, Lys679, Gly564, Val566, Ile719, Val614, Lys581, Phe630

PfMap2

Pf3d7_1113900

− 10.0

Val294, Leu253, Val293, Tyr117, Ile145, Arg231, Asn366, Arg299, His362, Arg296, Val361

PfClk4

Pf3d7_0302100

− 9.8

Val140, Phe69, Gly139, Val141, Glu162, Phe161, Met169, Val72, Leu64, Trp66, Lys89

  1. A reverse molecular docking of isoliensinine against 84 selected Plasmodium proteins was performed in PyRx—virtual screening tool to determine highly predictive interacting targets based on their free binding energy scores (kCal/mol). Two dimensional (2D) interactions for the best poses were analysed in Discovery Studio visualizer and the results are shown below