Skin Sensitization Calculation, Topical anti-inflammatory effect and DFT Study of New Indole-Hydrazone
Topical anti-inflammatory effect and DFT Study of New Indole-Hydrazone
A new indol-hydrazone (IH); N'-[(E)-(5-bromo-1H- indol-3-yl) methylidene] pyridine-4-carbohydrazide was selected for theoretical and experimental studies. Molecular structure proprieties were investigated using density functional theory (DFT) via B3LYP/6-31G (d,p), skin sensitization prediction was carried out using Pred Skin software program. The obtained results demonstrate the reactivity of IH with Energy gap (Δ) of 0.0579 a.u, low sensitizer effect towards human skin with probability of 60 %, and an excellent topical anti-inflammatory effect against xylen-induced ear odema in mice model with inhibition percentages of 81.48%.
Keyword: Hydrazone, skin sensitization, Topical, Anti-inflammatory.
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