Preprint / Version 1

An in silico approach toward wheatgrass extract-induced apoptosis of human acute myeloid leukemia cells


  • Sulistyo Mulyo Agustini Department of Clinical Pathology, Faculty of Medicine, Muhammadiyah University of Malang, Malang, Indonesia
  • Didik Huswo Utomo Department of Biology, Faculty of Mathematics and Natural Sciences, Brawijaya University, Malang, Indonesia
  • Muhaimin Rifa'i Department of Biology, Faculty of Mathematics and Natural Sciences, Brawijaya University, Malang, Indonesia
  • Sofia Mubarika Haryana Department of Histology and Cell Biology, Faculty of Medicine, Gadjah Mada University, Special Region of Yogyakarta, Indonesia
  • Edi Widjajanto Department of Clinical Pathology, Faculty of Medicine, Brawijaya University, Malang, Indonesia


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.


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