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Table 1 Best pose dock analysis showing E-values (Kcal/mole) and hydrogen bond formed by interaction of compound 5-a against selected targets

From: The nephroprotective potential of selected synthetic compound against gentamicin induced nephrotoxicity

5-(a)-Protein interaction

Binding affinity (Kcal/mol)

Hydrogen bond

Distance

Hydrophobic interaction

NF-κB

-6.0

ARG B:356, TYR B:357

2.13, 2.82

PRO B:362, VAL B:412, LEU B:440

TNF-α

-6.2

LEU D:93, GLN B:125, SER D:95

2.12, 2.13, 2.55

LEU B:93, VAL B:91

  1. Whereas 5-a 2-{5-[(2-hydroxyethyl)-sulfanyl]-1,3,4-oxadiazol-2-yl} phenol, NFκB Nuclear Factor Kappa-Lightchain-Enhancer of Activated B Cells, TNF-α Tumor Necrosis Factor Alpha, ARG Arginine, TYR Tyrosine, LEU Leucin, GLN Glutamine, SER Serine, PRO Proline, VAL Valine
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BMC Pharmacology and Toxicology

ISSN: 2050-6511

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