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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))