Table 1 Affinity (Kd) and rate constants (kon, koff) for PPARγ receptor/saponin (or sapogenin) interactions.

From: Screening of saponins and sapogenins from Medicago species as potential PPARγ agonists and X-ray structure of the complex PPARγ/caulophyllogenin

Interaction

Kon (M−1s−1) a

Koff(s−1) a

Kd(μM)

LT175 b,c

3.5(0.1)e5 9.5(0.2)e2

0.82(0.04) 0.81(0.02)

2.34 (0.04) 850 (30)

SAP1

6.12(0.04)e4

1.122(0.002)

18.33(0.09)

SAP2

1.254(0.003)e4

1.572(0.004)

125.34(0.04)

SAP3

1.567(0.003)e4

1.264(0.003)

80.67(0.03)

SAP4

1.333(0.003)e4

0.694(0.002)

52.05(0.05)

SAP5

1.040(0.002)e3

1.381(0.003)

132.71(0.05)

SAP6

1.346(0.004)e4

0.913(0.002)

67.85(0.06)

SAP7

2.928(0.007)e4

1.260(0.003)

43.03(0.03)

SAP8

3.74(0.01)e4

2.139(0.008)

57.18(0.04)

SAP9

5.18(0.02)e3

0.769(0.002)

148.25(0.09)

SAP10

1.626(0.004)e4

1.451(0.004)

89.28(0.04)

SAP11

1.949(0.006)e3

0.970(0.003)

497.4(0.2)

SAP12 d

–

–

–

SAP13

5.64(0.03)e3

4.13(0.03)

731.2(0.2)

SAP14

–

–

>1000

SAP15

–

–

>1000

SAP16

–

–

>1000

SAP17 c

5.1(0.1)e4

1.68(0.04)

32.5(0.02)

SAP18 c

144.8(0.2) 1.98(0.01)e4

1.405(0.004)e-3 0.715(0.002)

9.70(0.03) 36.1(0.2)

SAP19

2.053(0.005)e4

1.126(0.002)

54.82(0.03)

SAP20

–

–

>1000

SAP21 d

–

–

–

SAP22

4.65(0.04)e3

2.47(0.02)

531(7)

SAP23

4.76(0.08)e3

3.33(0.05)

699.2(0.6)

SAP24 d

–

–

–

  1. aExperimental error is reported in parentheses.
  2. bLT175 was chosen as reference compound because its Kd is known from ITC experiments (Kd = 3.66 μM).
  3. cFor this compound data were fit to a 2:1 molecular interaction model.
  4. dFor this compound data didn’t fit to models.
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