Insilico Studies of activities of compounds from Ricinodendron heudelotii against inflammatory and oxidant enzymes Carbonic anhydrase

• Authors: Ujupaul J. M. Ikezu , Sylvester N. Ugariogu
• Languages of publication: EN

Abstracts

EN

Medicinal plants have been acclaimed and documented over the years to play vital role in promoting human health. The study evaluated the activities of the compounds extracted from the Ricinodendron heudelotii seed against carbonic anhydrase enzyme which is responsible for inflammation and oxidation in the body. In this study, phytocompounds from the seed were extracted and characterized using gas chromatography coupled to a mass selective detector to identify the component phytochemicals responsible for its anti-oxidation and inflammatory activity. Site directed multi-ligand docking of the identified compounds was performance on Crystal structure of human Carbonic anhydrase I in complex with polmacoxib as the cocrystalline ligand with (PDB ID:5gmm). The compounds identified from GCMS results were compared with some standard anti-inflammatory and antioxidant drugs like Diclofenac, Indomethacin, Celecoxib, Naproxen and the cocrystaline ligand Polmacoxib. The docking result showed that the cocrystallized ligand have the best binding affinity of -8.5 kcal/mol followed by Naproxen (drug) -7.6 kcal/mol, phytocompound 1,2-Benzisothiazole, 3-(hexahydro-1H-azepin-1-yl)-, 1,1-dioxide and a commercial drug Celecoxib has the same affinity -7.5 kcal/mol, better than Diclofenac -7.0 kcal/mol, Indomethacin (drug) -6.7 kcal/mol, other phytocompounds like Phenol, 2-methoxy-4-(2-propenyl)-, acetate -6.4 kcal/mol, 1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester -6.1 kcal/mol also showed good binding affinities with the protein showing that most of the compounds may have good anti-inflammatory and antioxidant properties there by validating the ethnomedical claims of the plant use as having anti-inflammatory potentials. The interactions of the phytocompounds with better binding affinity were visualized and their results proved that the dockings were done in the active sites with strong bonds. ADMET properties of the drugs, cocrystalline ligand and compounds with good binding affinities were carried out to check for their adsorption, distribution, metabolism, excretion and toxicity properties. The result showed that the compounds and drugs have good absorption, distribution, metabolism with the human body and are not toxic to the body. The research justifies the local claims on the use of the plant and strengthens the relevance of these compounds as promising lead candidates for the treatment of anti-inflammatory diseases.

Keywords

EN

Insilico studies; Ricinodendron heudelotii; anti-inflammatory and antioxidant; carbonic anhydrase

Discipline

• BIOCHEMISTRY: BIOCHEMISTRY

• Publisher: Scientific Publishing House „DARWIN”
• Journal: World News of Natural Sciences
• Year: 2024
• Volume: 55
• Pages: 119-153

Contributors

author

Ujupaul J. M. Ikezu

• Chemistry Department, Imo State University, Owerri, Nigeria

author

Sylvester N. Ugariogu

• Chemistry Department, Federal University of Technology, Owerri, Nigeria

References

• [1] O.F Yakubu, A.B. Abiodun, H. Adebayo, A. Emeka, E.J. Iweala, A. Isaacson, B. Adelani, A. Temitope, A. Ishola, A.Ying-Jun Zhang, Anti-inflammatory and antioxidant activities of fractions and compound from Ricinodendron heudelotii (Baill.). Heliyon 5 (2019) e02779
• [2] V.O. Taiwo, O.A. Olukunle, I.C. Ozor, A.T. Oyejobi, Consumption of aqueous extract of raw Aloe vera leaves: histopathological and biochemical studies in rat and tilapia, African Journal of Biomedical Research, Vol. 8 (2005); 169-178
• [3] C. Leitzmann, Characteristics and health benefits of phytochemicals, Forschende Komplement€armedizin 23 (2016) 69–74.
• [4] S.F. Kimbu, F. Keumedjio, L.B. Sondengam, J.D. Connolly, Two dinorditerpenoids from Ricinodendron heudelotii, Phytochemistry 30 (1991) 619–621.
• [5] I. Izundu, N.N. Nnacho, Nutritional and A-nutritional composition of Ricinodendron heudelotii, J. Nat. Appl. Sci. 12 (2011) 108–116.
• [6] V.A. Oyono, C. Fokunang, Assam-Assam JP, Voundi S, Tsafack P, Mouafo ET. et al. Acute toxicity studies, antioxidant and in vitro antibacterial activities of extract from the barks of Ricinodendron heudoletti (Euphorbiaceae), J. Pharmacogn. Phytotherapy 6 (2014) 47–53.
• [7] O.F. Yakubu, A.H. Adebayo, T.O. Famakinwa, O.S. Adegbite, T.A. Ishola, L.O. Imonikhe, et al., Antimicrobial and toxicological studies of Ricinodendron heudelotii (Baill.), Asian J. Pharm. Clin. Res. 11 (2018) 299–305.
• [8] O.F. Yakubu, A.H. Adebayo, T.M. Dokunmu, Y.J. Zhang, E.E.J. Iweala, Cytotoxic effects of compounds isolated from Ricinodendron heudelotii (Baill.), Molecules 24 (2019) 145–151.
• [9] O.F. Yakubu, A.H. Adebayo, E.S. Okechukwu, O.A. Adeyemi, E.E.J. Iweala, Y.J. Zhang, Co-administration of artemisinin and Ricinodendron heudelotii leaf extract—effects on selected antioxidants and liver parameters in male Wistar rats, Comp. Clin. Pathol. 27 (2018) 765–772.
• [10] Atli Arnarson (2023) Antioxidants Explained in Simple Terms: https://www.healthline.com/nutrition/antioxidants-explained
• [11] T.A. Ajith, K.K. Janardhanan, Indian medicinal mushrooms as a source of antioxidant and antitumor agent, J. Clin. Biochem. Nutr. 40 (2007) 157–162.
• [12] K. Duduku, R. Sarbatly, R. Nithyanandam, A review of the antioxidant potential of medicinal plant species, Food Bioprod. Process. 89 (2011) 217–233
• [13] A.S. Ravipati, L. Zhang, S.K. Rao, S.C. Jeong, N. Reddy, J. Bartlett, et al., Antioxidant and anti-inflammatory activities of selected Chinese medicinal plants and their relation with antioxidant content, BMC Complement Altern. Med. 12 (2012) 172–184.
• [14] Z. Li, H.W. Lee, X. Liang, D. Liang, Q. Wang, D. Huang, et al., Profiling of Phenolic compounds and antioxidant activity activity of 12 cruciferous vegetables, Molecules 23 (2018) 1138–1144.
• [15] L.A. Diaz, W. Richard, W. Jian, K.J. Isaac, J.H. Randolph, B. Jordan, et al., The molecular evolution of acquired resistance to targeted EGFR blockade in colorectal cancers, Nature 486 (2012) 537–540.
• [16] P. Arulselvan, T.F. Masoumeh, S.T. Woan, G. Sivapragasam, F. Sharida, E.N. Mohd, et al., Role of antioxidants and natural products in inflammation, Oxid. Med. Cell Longev. (2016) 15. Article ID 5276130.
• [17] L. Chen, D. Huidan, C. Hengmin, F. Jing, Z. Zhicai, D. Junliang, et al., Inflammatory responses and inflammation- associated diseases in organs, Oncotarget 9 (2018) 7204–7218
• [18] Knudsen JF, Carlsson U, Hammarström P, Sokol GH, Cantilena LR. The cyclooxygenase-2 inhibitor celecoxib is a potent inhibitor of human carbonic anhydrase II. Inflammation. 2004 Oct ;28(5): 285-90
• [19] De Monte C, Carradori S, Gentili A, Mollica A, Trisciuoglio D, Supuran CT. Dual Cyclooxygenase and Carbonic Anhydrase Inhibition by Nonsteroidal Anti-Inflammatory Drugs for the Treatment of Cancer. Curr Med Chem. 2015; 22(24): 2812-8
• [20] Ricinodendron botanical classification retrieved 6 February 2023 https://en.m.wikipedia.org/wikipedia/wiki/Ricinodendron
• [21] Nortjie, E,. Basitere, M., Moyo, D. and Nyamukamba, P. (2022) Extraction Methods, Quantitative and Qualitative Phytochemical Screening of Medicinal Plants for Antimicrobial Textiles: A Review, Plants (Basel). 11(15): 2011.
• [22] Duru, C.E., Duru I.A., and Adegboyega A.E (2021) In silico identification of compounds from Nigella sativa seed oil as potential inhibitors of SARS‑CoV‑2 targets Bull Natl Res Cent 45 (57): 1-13 https://doi.org/10.1186/s42269-021-00517-x
• [23] Ugariogu, S.N and Duru, I.A. (2022) Anticolorectal Cancer Properties of Some Flavonoids and Terpenoids from African Propolis via Molecular Docking South Asian Research Journal of Natural Products 5(3): 209-221
• [24] 2, 4- Heptadienal retrieved on the 6th of June 2023 https://pubchem.ncbi.nlm.nih.gov/compound/2_4-Heptadienal
• [25] Mohammadi-Nejad, S., Özgüneş, H. and Başaran, N. (2017) Pharmacological and Toxicological Properties of Eugenol. Turk J Pharm Sci. 14(2): 201-206
• [26] Lock, A.L, Corl, B.A, Barbano, D.M, and Bauman, D.E.,( 2004). The anticarcinogenic effect of trans-11 18:1 is dependent on its conversion to cis-9, trans-11 CLA by delta9-desaturase in rats". J Nutr. 134 (10): 2698– 704
• [27] Field, C.J., Blewett, H.H., Proctor, S. and Vine, D. (2009) Human health benefits of vaccenic acid. Appl Physiol Nutr Metab. 34(5):979-991. doi: 10.1139/H09-079. PMID: 19935865.
• [28] Flores-Hplguin, N., Frau, J. and Glossman-mitrik, D (2021) computational pharmacokinetics report, ADMET study and conceptual DFT based estimation of the chemical reactivity properties of marine cyclopeptides. Chemistry open 10, 1142-1149

• Document Type: article