Chemical analysis and in silico anticancer and anti-inflammatory potentials of bioactive compounds from Moringaoleifera seed oil

다국어 초록 (Multilingual Abstract)

Breast and prostate cancers are the first and second most leading cause of mortality and morbidity in women and men respec- tively. Today lots of drugs are available for treatment but their adverse effect, potentially distressing toxicity only add to patient discomfort and limits their use. Identification of novel sources for developing new anticancer drugs with little or no side effect is imperative. In vitro antioxidant activities crude and degummed Moringa oleifera seed oil were determined using standard methods. Fatty acid and phytosterols were identified through GC–MS. Molecular docking studies was performed to investigate the binding interactions between natural compounds and five various anti-cancer drug targets. Also the proteins were docked to standard inhibitors and the binding affinities were determined. Molecular interactions between proteins and ligands were viewed with discovery studio 4.5. The binding energy was compared with the known inflammatory, breast and prostate cancer inhibitory drugs namely: exemestane, talazoparib, pictilisib, thalidomide and Z-IETD-fmk. Crude oil exhibited more potent antioxidant activities than the degummed oil. Minerals and vitamins were reduced after degumming.
Phytosterol showed that β-Sitosterol is the predominant phytosterol which was higher in the degummed oil. β-Sitosterol displayed the best inhibitory activity against the standard inhibitors except Z-IETD-fmk; while oleic acid exhibited poor binding energy when compared with the standard inhibitors except thalidomide. β-Sitosterol played a promising role against breast and prostate cancer protein targets and hence can act as a template for further studies as cancer drug candidates.

참고문헌 (Reference)

1 Saa RW, "Treatments and uses of Moringa oleifera seeds in human nutrition : a review" 7 : 1911-1919, 2019

2 Tollenaere JP, "The role of structure-based ligand design and molecular modelling in drug discovery" 18 (18): 56-62, 1996

3 Chumark P, "The in Vitro and ex Vivo antioxidant properties, hypolipidaemic and antiatherosclerotic activities of water extract of Moringa oleifera Lam. leaves" 116 : 439-446, 2008

4 Alam MN, "Review on in vivo and in vitro methods evaluation of antioxidant activity" 21 : 143-152, 2013

5 Ogunsina BS, "Quality characteristics and stability of Moringa oleifera seed oil of Indian origin" 51 (51): 503-510, 2014

6 Ekpete OA, "Proximate and mineral composition of some Nigerian fruits" 3 : 1447-1454, 2013

7 Aiyegoro OA, "Preliminary phytochemical screening and in vitro antioxidant activities of the aqueous extract of Helichrysum longifolium DC" 10 : 21-27, 2010

8 Barakat H, "Physicochemical properties of Moringa oleifera seeds and their edible oil cultivated at different regions in Egypt" 7 : 472-484, 2016

9 Kirk RS, "Pearson’s composition and analysis of foods, 9th edn" 1991

10 O’Boyle NM, "Open Babel : an open chemical toolbox" 3 : 33-37, 2011

11 Ansari N, "Natural products as promising drug candidates for the treatment of Alzheimer’s disease : molecular mechanism aspect" 11 (11): 414-429, 2013

12 Anwar F, "Moringaoleifera : a food plant with multiple medicinal uses" 2 : 17-25, 2007

13 Veber DF, "Molecular properties that influence the oral bioavailability of drug candidates" 45 (45): 2615-2623, 2002

14 Association of Vitamin Chemists, "Methods of vitamin assay" Interscience Publishers 7-18, 1966

15 Cuzick J, "Hormone replacement therapy and the risk of breast cancer" 44 : 2344-2349, 2008

16 Ghosh A, "Herbal folk remedies of Bankura and Medinipur districts, West Bengal(India)" 2 : 393-396, 2003

17 Lipinski CA, "Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings" 46 (46): 3-2, 2001

18 Afsar T, "Evaluation of antioxidant, anti-hemolytic and anticancer activity of various solvent extracts of Acacia hydaspica R. Parker aerial parts" 16 (16): 258-, 2016

19 Ferlay J, "Estimating the global cancer incidence and mortality in 2018 : GLOBOCAN sources and methods" 144 (144): 1941-1953, 2019

20 Prins GS, "Endocrine disruptors and prostate cancer risk" 15 : 649-656, 2008

21 Sánchez-Machado DI, "Effect of the refining process on Moringa oleifera seed oil quality" 187 : 53-57, 2015

22 Saini RK, "Effect of dehydration methods on retention of carotenoids, tocopherols, ascorbic acid and antioxidant activity in Moringa oleifera leaves and preparation of a RTE product" 51 : 2176-2182, 2014

23 Subbroto KS, "Correlation between oxidative stress, nutrition, and cancer initiation" 18 (18): 1544-1549, 2017

24 Tsaknis J, "Characterization of Moringa peregrine Arabian seed oil" 49 (49): 170-176, 1998

25 Tsaknis J, "Characterization of Moringa oleifera variety Mbololo seed oil of Kenya" 47 : 4495-4499, 1999

26 Lalas S, "Characterization of Moringa oleifera seed oil variety"periyakulam 1"" 15 : 65-77, 2002

27 Miyoshi N, "Benzyl isothiocyanate inhibits excessive superoxide generation in inflammatory leukocytes : implication for prevention against inflammationrelated carcinogenesis" 25 : 567-575, 2004

28 Trott O, "AutoDock Vina : improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading" 31 : 455-461, 2010

29 Khalafalla MM, "Active principle from Moringa oleifera lam leaves effective against two leukemias and a hepatocarcinoma" 9 : 8467-8471, 2010