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Table 2 Relative binding free energy estimates

From: Quantitative analysis of the effect of tubulin isotype expression on sensitivity of cancer cell lines to a set of novel colchicine derivatives

  I IIa IIb III IVa IVb
D01 -13.2 ± 1.8 5.9 ± 1.5 -2.8 ± 1.6 1.1 ± 1.7 5.5 ± 2.6 -16.9 ± 2.7
D02 -9.6 ± 3.3 -24.8 ± 1.6 -7.9 ± 2.2 1.4 ± 2.2 15.1 ± 4.0 -5.4 ± 3.9
D03 -19.9 ± 6.2 -10.7 ± 3.9 -17.0 ± 3.9 6.6 ± 2.4 -9.5 ± 4.7 -20.7 ± 7.6
D04 -30.0 ± 4.8 -8.3 ± 2.1 -7.0 ± 3.9 2.2 ± 4.0 -8.2 ± 4.2 -10.0 ± 3.4
D05 -13.8 ± 3.4 -11.5 ± 2.0 3.5 ± 2.4 5.0 ± 1.7 -7.0 ± 3.5 -13.9 ± 2.1
D06 8.6 ± 4.0 4.8 ± 2.1 20.0 ± 1.7 -4.3 ± 1.3 8.1 ± 2.6 -12.7 ± 5.7
D07 -2.8 ± 0.8 -9.8 ± 1.7 2.6 ± 1.7 1.2 ± 1.6 1.8 ± 2.3 -10.2 ± 1.9
D08 -2.5 ± 2.7 -7.8 ± 1.6 1.1 ± 4.5 2.2 ± 3.0 3.5 ± 3.1 -16.5 ± 6.2
D09 2.9 ± 5.8 -7.0 ± 1.9 0.1 ± 3.3 0.3 ± 4.4 14.1 ± 3.7 4.7 ± 6.3
D10 -10.6 ± 4.6 -13.2 ± 3.0 -4.9 ± 4.3 -21.7 ± 1.8 -15.9 ± 4.1 -15.8 ± 6.1
D11 37.6 ± 1.6 -0.6 ± 0.8 10.7 ± 1.7 13.1 ± 0.3 3.2 ± 3.4 -19.1 ± 1.6
D12 -15.6 ± 1.6 -23.2 ± 2.1 -4.1 ± 1.9 -15.1 ± 1.6 -2.8 ± 2.7 -30.4 ± 3.3
D13 0.1 ± 2.3 -5.2 ± 3.4 9.7 ± 1.5 2.3 ± 2.2 -3.7 ± 2.3 -18.1 ± 3.6
D14 -0.1 ± 4.0 -11.0 ± 1.9 0.6 ± 1.5 26.3 ± 1.9 26.5 ± 2.7 -20.0 ± 6.1
D15 12.4 ± 3.3 -3.5 ± 1.6 -1.4 ± 0.8 6.3 ± 1.6 -4.3 ± 2.3 -4.4 ± 3.2
D16 -2.8 ± 4.2 -3.9 ± 0.9 5.5 ± 1.8 -9.1 ± 3.8 -9.9 ± 3.5 -15.5 ± 2.2
D17 7.8 ± 5.1 -1.3 ± 1.4 3.1 ± 4.3 1.9 ± 1.5 26.1 ± 3.6 -6.6 ± 3.8
D18 -2.1 ± 2.9 -1.1 ± 3.4 3.3 ± 2.8 16.8 ± 1.4 -5.6 ± 1.9 -10.1 ± 2.3
D19 -10.3 ± 3.8 3.4 ± 3.2 -11.0 ± 2.3 -0.2 ± 1.5 -15.1 ± 3.2 -6.1 ± 5.1
D20 -1.7 ± 5.1 0.9 ± 1.7 10.6 ± 3.5 7.8 ± 1.8 -6.4 ± 3.9 -8.4 ± 3.7
  1. Relative binding free energy estimates of the 20 derivatives of colchicine and colchicine itself (listed in the first column) against seven tubulin isotypes listed in the top row. The energy values are given in kcal/mol and the detailed derivation is given in [36].