ANTIOXIDANT AND ANTI-ULCER EFFECT OF CLEOME RUTIDOSPERMA ETHANOL LEAF EXTRACT; GCMS AND MOLECULAR DOCKING STUDY

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

ABSTRACT

Antioxidant and Anti-ulcer effect of Cleome rutidosperma ethanol leaf extract, GCMS and Molecular docking was studied in rats. Twenty (20) rats were used for this research and were grouped into four (4) of five (5) rats 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 and 4 (the low and high doses) received 125, 500 mg/kg body weight of the extract of C. rutidosperma respectively and were also induced with Diclofenac. The Gas chromatogram showed 14 peaks indicating 14 compounds in ethanol extract of the plant. The most prominent compound was Oleic acid with 22.6 % peak area percentage. C. rutidosperma showed a better antioxidant effect compared with the negative control treated with distilled water when tested with catalase, supreroxide dismutase, malondialdehyde and reduced glutathione. At 500 mg/kg b.w. C. rutidosperma extract had better reduction of ulcer index (82.08 %). The negative control treated with distilled water had no reduction (0.00 %) while standard drug Omeprazole had (64.70 %). This indicates that the extract contain compound that can be an alternative of both ulcer and antioxidant than synthetic drug in the protection of Diclofenac induced ulceration and antioxidant study. The 2D interactions of Oleic acid (OLA-2X08) and Ascorbic acid (ASC-2X08) showed that binding affinity of OLA-2X08 was -7.3 Kcal/mol while ASC-2X08 was -5.5 Kcal/mol. This suggested that OLA possessed higher antioxidant property than ascorbic acid. The ADMET results showed that Oleic acid (OLA) can penetrate the Blood Brain Barrier (BBB). It was also found that OLA could be absorbed by the human intestine and can also penetrate to Caco-2 cells (for permeability assessment) and result demonstrated relatively high success. Biotransformation and elimination results showed that most of the cytochrome P450 isoforms were not inhibited by OLA so can be eliminated easily thus OLA did not show toxicity. OLA had only one violation, according to Lipinski rule of 5 (RO5) therefore it is likely to have the chemical and physical properties to be orally bioavailable, hence a good drug candidate.

Keywords: Antioxidant, Anti-ulcer, Cleome rutidosperma, GCMS, Molecular docking.