Evaluation of topical anti-inflammatory and antipruritic activities of oatmeal with in silico validation

Résumé

Purpose: To investigate the anti-inflammatory and antipruritic potential of Avena sativa (Oatmeal) extract using animal model and molecular docking simulation studies. Methods: About 900 g of Quaker OatTM was extracted with 70 % methanol using Soxhlet method. The topical anti-inflammatory activity of the crude extract was screened by rat paw oedema. The percentage inhibition of oedema compared with that of control (diclofenac) was taken as anti-inflammatory activity as standard. In vivo antipruritic activity of the extract was performed using 20 %w/v 2,4-dinitrofluobenzene, 1 %w/w of Crotamiton as standard. Gel without the extract was used as negative control. Systemic molecular docking evaluation of compounds isolated from the extract was carried out against. Results: Animal studies show that the Oatmeal extract possesses significant anti-inflammatory activities (p < 0.05) in comparison with the negative control, with not too promising results (p > 0.05) from the antipruritic assay. Docking result for COX-1 receptor antagonists showed 9,12 octadecadienoic acid, octadecanoic acid ethyl ester, methyl stearate with scoring function -7.7 ± 0.0, -7.3 ± 0.07, and -7.00 ± 0.08 Kcal/mol, respectively, comparable to Aspirin with scoring function of -7.1 ± 0.01 Kcal/mol. Using phosphodiesterase 4 (PDE4), receptor antagonist as a target for in-silico antipruritic validation shows that 9,12 octadecadienoic acid, with scoring function of -7.76 ± 0.08 possess drug-like potential as antipruritic agent, as it had zero violation of Lipinski’s rule of 5. Conclusion: The study showed that compounds isolated from Avena sativa crude extract possess high drug-like potential as an anti-inflammatory agent.

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