An in silico approach toward wheatgrass extract-induced apoptosis of human acute myeloid leukemia cells
Keywords:Acute myeloid leukemia, Apoptosis, Cyperus rotundus, In silico
Background: Extracts of wheatgrass (Cyperus rotundus L.) have the potential to be developed as anti-leukemia agents. Aim:
This study was aimed to identify and evaluate the potential of the active compounds in C. rotundus in inducing apoptosis
in the treatment of leukemia. Methods: This study was conducted in several stages: Identification active compounds of
C. rotundus by gas chromatography/mass spectroscopy analysis, human intestine absorption, prediction of activity spectra
for substance, and pathway analysis. Results: The result of the study showed that wheatgrass has nine active compounds and
24 compounds capable of performing apoptosis processes (probability activity >0.7). All the compounds can be absorbed by
human intestine (HIA >0.9). Pathway analysis showed that the active compounds quercetin, luteolin, and apigenin possessed
synergy in inducing apoptosis. The main pathway affected is the mechanism of the inhibition of cytochrome proteins and the
activation of caspase 3 as the apoptotic executor. Conclusion: Thus, extract of C. rotundus has a high potential in inducing
apoptosis through cytochrome inhibition and caspase induction, and this is a good candidate for further laboratory testing for
the treatment of leukemia.
Himaja N, Anitha K, Joshna A, Pooja M. Review article on health benefits of Cyperus routendus. Indian J Drugs 2014;2:136-41.
Soumaya KJ, Zied G, Nouha N, Mounira K, Kamel G, Genviève FD, et al. Evaluation of in vitro antioxidant and apoptotic activities of Cyperus rotundus. Asian Pac J Trop Med 2014;7:105-12.
Sak K, Everaus H. Established human cell lines as modelsto study anti-leukemic effects of flavonoids. Curr Genomics 2017;18:3-26.
Jonas BA, Medeiros BC. Individualizing therapeutic strategies in acute myeloid leukemia: Moving beyond the ‘one-size-fitsall’ approach. Oncology (Williston Park) 2016;30:330, 333.
Niu G, Yin S, Xie S, Li Y, Nie D, Ma L, et al. Quercetin induces apoptosis by activating caspase-3 and regulating bcl-2 and cyclooxygenase-2 pathways in human HL-60 cells. Acta Biochim Biophys Sin (Shanghai) 2011;43:30-7.
Shukla S, Gupta S. Apigenin: A promising molecule for cancer prevention. Pharm Res 2010;27:962-78.
Tuorkey MJ. Molecular targets of luteolin in cancer. Eur J Cancer Prev 2016;25:65-76.
Chelilah DA. Biological activity prediction of an ethno medicinal plant Cinnamomum camphora through bioinformatics. Ethnobot Leaf 2008;12:181-90.
Ocaña A, Pandiella A. Personalized therapies in the cancer “OMICS” era. Mol Cancer 2010;9:202.
Nestal de Moraes G, Castro CP, Salustiano EJ, Dumas ML, Costas F, Lam EW, et al. The pterocarpanquinone LQB-118 induces apoptosis in acute myeloid leukemia cells of distinct molecularsubtypes and targetsfoxO3a and foxM1 transcription factors. Int J Oncol 014;45:1949-58.
Carter BZ, Qiu YH, Zhang N, Coombes KR, Mak DH, Thomas DA, et al. Expression of ARC (apoptosis repressor with caspase recruitment domain), an antiapoptotic protein, is strongly prognostic in AML. Blood 2011;117:780-7.
Lawal OA, Oyedeji AO. Chemical composition of the essential oils of Cyperus rotundus L. From South Africa. Molecules 2009;14:2909-17.
Pal DK, Dutta S. Evaluation of the antioxidant activity of the roots and rhizome of Cyperus rotundus L. Indian J Pharm Sci 2006;68:256-8.
Sivapalan SR. Medical use and Pharmacological activities of Cyperus rotundus Linn a review. Int J Sci Res Publication 2013;3:1-8.
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