Molecular Docking and Experimental Evaluation of Antiulcerogenic Effect of Salvia Fruticosa

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Fazil Ahmad, Abeer Mohammed Al-Subaie, J. Muthu Mohamed, Ali Alqahtani, Taha Alqahtani, Irfan Navabshan, Rasheed Ahemad Shaik, V. Krishnaraju, Shoug Yousef Al Humoudi

Résumé

The present study was carried out to evaluate the interaction analysis and antiulcerogenic activity of hydroalcoholic leaves extract of Salvia fruticosaleaves against ethanol induced gastric ulceration. Phytochemical and acute toxicity studies were carried out with standard methods. The docking studies performed using the CHARMm algorithm between 6YLU and phytoconstituent.  Ulcers are induced in rats by administration of ethanol (1ml/kg, p.o.). One hour prior to ethanol administration, the various groups are treated with Salvia fruticosaextract (250 and 500mg/kg) and standard ranitidine (200mg/kg). A phytochemical study, shows the presence of various phytochemical constituents, while acute toxicity studies found no sign of toxicity. Results of docking studies showed two molecules rosmerinic acid (-54.1556 kcal/mol) and stearic acid (-45.8874 kcal/mol) showed higher affinity than standard drug. Treatment with extract at dose of 250 and 500 mg/kg showed significant reduction in the ulcer score and ulcerative index, when compared to the standard drug Rantidine.

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