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Bulletin of the National Research Centre

Table 3 The inhibitory activity of parthenolide derivatives for template molecule 3

From: QSAR, molecular docking studies, ligand-based design and pharmacokinetic analysis on Maternal Embryonic Leucine Zipper Kinase (MELK) inhibitors as potential anti-triple-negative breast cancer (MDA-MB-231 cell line) drug compounds

No.

R1

R2

R3

R4

R5

IC50(µM)

pIC50

35

OMe

OMe

H

H

H

1.74

5.7595

36

OMe

H

OMe

H

H

0.55

6.2596

37

OMe

H

H

OMe

H

0.26

6.5850

38

OMe

H

H

H

OMe

0.25

6.6021

39

H

OMe

OMe

H

H

1.95

5.7090

40

H

OMe

H

OMe

H

2.02

5.6946

41

OMe

OMe

OMe

H

H

1.77

5.7520

42

OMe

H

OMe

OMe

H

1.02

5.9914

43

OMe

H

OMe

H

OMe

1.09

5.9626

44

H

OMe

OMe

OMe

H

0.95

6.0223

45

F

H

H

H

F

1.59

5.7986

46

Cl

H

H

H

Cl

1.59

5.7986

47

Br

H

H

H

Br

1.50

5.8239

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