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Table 1 Autodock scores and affinity values for the interaction between 3,4,4′-TMS, 3,5,4′-TMS, combretastatin A4 or colchicine and γ/γ-tubulin (γ/γ) or α/β-tubulin (α/β) dimers

From: A novel resveratrol derivative induces mitotic arrest, centrosome fragmentation and cancer cell death by inhibiting γ-tubulin

 

ΔG

(γ/γ)

Kd

(γ/γ)

ΔG

(α/β)

Kd

(α/β)

ΔG (α/β)/

ΔG (γ/γ)

Kd (α/β)/

Kd (γ/γ)

3,4,4′-TMS

− 7.36

4.023

− 6.35

22.128

0.863

5.501

3,5,4′-TMS

− 7.02

7.141

− 6.37

21.393

0.907

2.996

Combretastatin A4

− 6.07

35.498

− 6.72

11.849

1.107

0.334

Colchicine

− 7.27

4.683

− 9.91

0.054

1.363

0.012

  1. ΔG: best score calculated by Autodock for the most populated clusters. Kd (μM): predicted dissociation constant values calculated using the formula: Kd = exp(ΔG/(R*T))