European Journal of Biomedical and Pharmaceutical Sciences

ANTI-ULCER AND ANTIOXIDANT EFFECT OF SIDA ACUTA ETHANOL LEAF EXTRACT; GCMS AND MOLECULAR DOCKING STUDY

K. K. Igwe*, F. O. Ezeibe, A. J. Madubuike, N. K. Achi, I. C. Eke, Chika Ikenga, I. E. Otuokere, D. C. Ifenkwe, I. I. Ijeh, S. C. Udem and P. E. Aba

ABSTRACT

Anti-ulcer and antioxidant effect of Sida acuta ethanol leaf extract, GCMS and Molecular docking was studied using mice as animal model. Thirty (30) mice were used for the research and were grouped into five (5) of six (6) mice each. Group 1 was the negative control induced with Diclofenac but not treated.Group 2 was positive control induced and was treated with standard drug Omeprazole. Groups 3, 4 and 5 (the low, middle and high doses) received 125, 250 and 500 mg/kg body weight of the extract of Sida acuta respectively after induction with Diclofenac. Gas chromatogram showed 17 peaks indicating 17 compounds in ethanol extract of S. acuta leaves. The most prominent compound was 9-Octadecenoic acid (Z)-, methyl ester with 92.0616 % composition. The whole extract in vivo produced inhibition at 500 mg/kg dose (94.44 %), while 250 mg/kg b.w. (84.44 %) and 125 mg/kg b.w. (80.27%). Distilled water group (0.00 %). The standard drug, Omeprazole, 20 mg/kg, b.w. inhibited (68.61%). Therefore S. acuta whole extract extract was a better antiulcer drug than Omeprazole in vivo. The extract showed better antioxidant effect when compared with the negative control. The 2D interactions of ODM-2X08 and ASC-2X08 shows that binding affinity of ODM-2X08 was -7.5 Kcal/mol while ASC-2X08 was -5.5 Kcal/mol. This suggested that ODM possessed higher antioxidant property than ascorbic acid. The 2D interactions of 9-Octadecenoic acid (Z)-, methyl ester (ODM-2XZB) and Omeprazole (OME -2XZB) shows that the binding affinity of ODM-2XZB was -6.0 Kcal/mol while OME-2XZB was -7.5 Kcal/mol. This suggested that ODM possessed lower anti-ulcer properties than omeprazole. ADMET Predicted Profile showed that the lead compound is soluble in water, biodegradable and are less toxic. The lead compound, 9-Octadecenoic acid (Z)-, methyl ester (ODM) had only one violation, according to Lipinski rule of 5 (RO5) hence it is likely to have the chemical and physical properties to be orally bioavailable hence a good drug candidate.

Keywords: Anti-ulcer, Antioxidant, Sida acuta, GCMS, Molecular docking.