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Table 3 intramolecular hydrogen bonds of the docked poses of 9i, 10i and 21 with the involved residues of the DNA binding region of NF-kappaB (see Figure 5 for ligand atom labels). The interatomic distances in Angstroms are shown.

From: Docking of molecules identified in bioactive medicinal plants extracts into the p50 NF-kappaB transcription factor: correlation with inhibition of NF-kappaB/DNA interactions and inhibitory effects on IL-8 gene expression

Residue interaction

Ligand atom

Distance (Ã…)

(His141) -Nε-H::O

O5 (9i)

2.12

 

O8 (10i)

1.88

 

O2' (21)

1.90

(Asp239) -COO::H

H5 (9i)

1.91

 

H8 (10i)

2.09

 

H2' (21)

2.00

(Lys241) -CO::H

H7 (10i)

1.96

(Lys241) -N+-H::O

O7 (9i)

2.60

 

O1a (21)

2.17

(Leu207) -N-H::O

O1 (10i)

2.18