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. Author manuscript; available in PMC: 2012 Jun 1.
Published in final edited form as: J Mol Graph Model. 2011 Apr 9;29(7):947–955. doi: 10.1016/j.jmgm.2011.03.004

Table 1.

Docking results (Glide XP) of noscapine and Br-noscapine with respect to different binding sites predicted by SiteMap (Schrödinger Inc.). Site 10 (correspond to colchicine binding site) is having better Glide score for both noscapine and Br-noscapine.

Site ID Site score Volume Glide XP score (kcal/mol)
Noscapine Br-noscapine
1 1.022 1483.8 −5.170 −5.466
2 1.106 220.9 −4.084 −4.349
3 0.910 236.6 −4.794 −4.871
4 0.916 127.6 −0.751 −1.869
5 0.849 138.6 −2.113 −2.342
6 0.793 170.5 −2.150 −2.385
7 0.746 67.2 −1.957 −3.263
8 0.671 84.7 −2.296 −3.336
9 0.886 85.7 −1.042 −1.302
10 0.632 80.6 −5.521 −6.261