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Evidence-Based Complementary and Alternative Medicine
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Evidence-Based Complementary and Alternative Medicine
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2015
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Article
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Tab 3
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Research Article
Sulforaphane Reverses the Expression of Various Tumor Suppressor Genes by Targeting DNMT3B and HDAC1 in Human Cervical Cancer Cells
Table 3
Docking results of ligands (SFN, TSA, and 5-Aza-dC) on receptors (HDAC1 and mDNMT3B).
Receptor
Ligand
Clusters within substrate binding cavity/total clusters
Cluster ranks
Total elements
(out of 256)
FullFitness (kcal/mol)
Estimated Δ
(kcal/mol)
HDAC1
SFN
6/41
0, 1, 2, 3, 16, 19
40
−2094.8
−7.9
mDNMT3B
SFN
31/49
0–8, 10, 12–16, 18, 21–27, 29–31, 33–34, 43, 45
174
−1914.2
−7.5
mDNMT3B
5-Aza-dC
15/43
0–1, 3–5, 7, 17, 19, 24, 34, 36–37, 39, 42, 43
73
−2071.4
−9.5