Quercetin: the bioactive compound from Allium cepa L. as anti-inflammation based on in silico screening

Mohamad Amin, Kurniawan Setia Putra, Ihya Fakhrurizal Amin, Nanda Earlia, Dina Maulina, Betty Lukiati, Umie Lestari


Inflammation is a tissue injury that occurs due to physical trauma or microbiological substances that involve the activities of many cell types. Inflammation can be prevented using the natural medicines from Allium cepa L. Quercetin is one of the bioactive compounds found in Allium cepa L and has been reported to have anti-inflammatory activity. The natural medicines have been used to minimize non-steroidal anti-inflammatory drugs. This study aims to investigated the modeling structures and the protein receptor from quecertin in inflammation mechanism and their optimization of the effectiveness in the human body. The bioinformatics tools used in this study are the database of quercetin compounds, Pubchem and Swis Target Prediction protein prediction databases, PyRx 0.8 molecular docking software, ligand docking, and binding site analysis with PyMOL and LigPlus software. The results from in silico show that quercetin compounds can interact with Muscleblind-like protein 1 target protein with a Binding Affinity minus value which is not much different from the dexamethasone compound. Dexamethason is a standart because it is a corticosteroid drug that can be used as an anti-inflammatory to reduce inflammation, allergic reactions, arthritis and other inflammatory diseases.


Allium cepa L.; anti inflamation; in silico; quercetin

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Fredotovic, Ž., Šprung, M., Soldo, B., Ljubenkov, I., Budi´c-Leto, I., Bilušic´, T., Cˇ ikeš-ˇulic´, V., and Puizina, J. 2017. Chemical Composition and Biological Activity of Allium cepa L. and Allium _ cornutum(Clementi ex Visiani 1842) Methanolic Extracts. Molecules, 22, 448; doi:10.3390/molecules22030448.

Kartasasmita, R.E., Herowati, R., Harmastuti, N., & Gusdinar, T. (2009). Quercetin Derivatives Docking Based On Study Of Flavonoids Interaction To Cyclooxygenase-2. Indo. J. Chem. 9 (2):297-302.

Maulina, D., Amin, M., Lestari, S.R., & Aziz, M. 2018. Alanine as natural biopesticide from Mirabilis jalapa and its interaction with glutamate as an inhibitor in insects immune system. Journal of BIOLOGICAL RESEARCHES, Vol. 23: 2. Doi: 10.23869/bphjbr.23.2.20185.

Pangastuti, A., Amin, I.F., Zhilalikbar, A., Amin, M. 2016. Natural Bioactive Compound From Moringa oleifera against Cancer Based On In Silico Screening. Jurnal Teknologi (Sciences & Engineering). 78(5): 315-318

Pharmmapper database. (accessed on March 2018)

Plessers, E.; Watteyn. A.; Wyns, H.; Pardon, B.; De Backer, P. and Croubels, S. 2015. Study of the immunomodulatory properties of gamithromycin and dexamethasone in a lipopolysaccharide inflammation model in calves. Res Vet Sci. 2015 Dec; 103:218-23. doi: 10.1016/j.rvsc.2015.10.014. Epub 2015 Oct 28

Pubchem database. https://pubchem.ncbi.nlm.nih.gov/ (accessed on March 2018)

Puspita sari, 2015.Studi in silico daun salam (Syzygium polyanthum) terhadap angio tensin converting enzyme. Jurnal kedokteranVol 3, No 1

Ringo Maeda, 2013. Isolasi senyawa flavonoid dari kulit bawang merah (Allium cepa L).Skripsi Fakultas Matematika dan Ilmu Pengetahuan Alam, Universitas Sumatra Utara Medan.

Rodrigues A., Fogliano V., Graziani G., Mendes, S., Vale, A. and Goncalves, C., 2003. Nutrition Value of Onion Regional Varieties in Northwest Portugal, EJEAFChe 2(4): 519-524.

Ryfai, EA 2012, ‘Penapisan in silico anti malaria dari basis data tanaman obat Indonesia terhadap target plasmepsin’, (Skripsi) Fakultas Matematika dan Ilmu Pengetahuan Alam, Universitas Indonesia.

Smith, C., Lombard, K.A., Peffley, E.B.,Liu, W. 2003. Genetic Analysis of Quercetin in Onion (Allium cepa L.) ‘Lady Raider’. The Texas Journal of Agriculture and Natural Resource 16:24-28.

Soemari Yulistia, 2016. Uji aktivitas anti inflamasi quercetin bawang merah (Allium cepa L). pada mencit putih jantan (Musmusculus)

SuperPret server. http://prediction.charite.de/ (accessed on March 2018)

Swiss Target Prediction. http://www.SwissTargetPrediction.ch/ (accessed on March 2018)

Teresita, G., Alejandra, E.R., Americo, O. J., &Lilian, E.P. 2001. Anti-inflammatory Properties of Plant Flavonoids. Effects of Rutin, Quercetin and Hesperidin on Adjuvant Arthritis in Rat. Elsevier IlFarmaco 56:683-687.

DOI: https://doi.org/10.14421/biomedich.2018.71.27-31


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Copyright (c) 2018 Mohamad Amin, Kurniawan Setia Putra, Ihya Fakhrurizal Amin, Nanda Earlia, Dina Maulina, Betty Lukiati, Umie Lestari

Biology, Medicine, & Natural Product Chemistry
ISSN 2089-6514 (paper) - ISSN 2540-9328 (online)
Published by Sunan Kalijaga State Islamic University & Society for Indonesian Biodiversity.

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