ANTI-INFLAMMATORY ACTIVITY OF STEM BARK DICHLOROMETHANE FRACTION Syzygium samarangense EXTRACT AS COX-2 INHIBITOR: A BIOINFORMATICS APPROACH
Downloads
Syzygium samarangense is a plant that is rich in flavonoid compounds. Previous research
revealed that the dichloromethane fraction from the stem bark extract contained four
bioactive compounds, namely, pinocembrin, uvangoletin, stercurensin, and aurentiacin,
which had good antioxidant activity. However, research on the potential of these four
compounds as an anti-inflammatory has not been revealed. This study aims to continue
previous research in revealing the potential of compounds in the dichloromethane fraction
of S. samarangense extract as an anti-inflammatory agent in silico COX-2 inhibitors. This
study uses in silico biocomputation, including drug-likeness analysis and molecular docking
analysis using COX-2 protein and the control drug rofecoxib. The results showed that there
are compounds that have the potential as anti-inflammatory compounds, namely
pinocembrin. However, further studies, such as in vitro and in vivo, are still needed to reveal
its potential as an anti-inflammatory agent
Abdulkhaleq, L. A., Assi, M. A., Abdullah, R., Zamri-Saad, M., Taufiq-Yap, Y. H., & Hezmee, M. N. M., 2018, The crucial roles of inflammatory mediators in inflammation: A review. Veterinary World, 11(5), 627–635.
Anwikar, S., & Bhitre, M., 2010, Study of the synergistic anti-inflammatory activity of Solanum xanthocarpum Schrad and Wendl and Cassia fistula Linn. International Journal of Ayurveda Research, 1(3), 167.
Cairns, J. A., 2007, The coxibs and traditional nonsteroidal anti-inflammatory drugs: a current perspective on cardiovascular risks. Canadian Journal of Cardiology, 23(2), 125–131.
Chen, Y.-F., Jobanputra, P., Barton, P., Bryan, S., Fry-Smith, A., Harris, G., & Taylor, R. S., 2008, Cyclooxygenase-2 selective non-steroidal anti-inflammatory drugs (etodolac, meloxicam, celecoxib, rofecoxib, etoricoxib, valdecoxib and lumiracoxib) for osteoarthritis and rheumatoid arthritis: a systematic review and economic evaluation. Health Technology Assessment (Winchester, England), 12(11), 1–278.
Desai, S. J., Prickril, B., & Rasooly, A., 2018, Mechanisms of phytonutrient modulation of cyclooxygenase-2 (COX-2) and inflammation related to cancer. Nutrition and Cancer, 70(3), 350–375.
FDA, 2005, Analysis and recommendations for agency action regarding nonsteroidal antiinflammatory drugs and cardiovascular risk. Journal of Pain & Palliative Care Pharmacotherapy, 19(4), 83–97.
Ferrero-Miliani, L., Nielsen, O. H., Andersen, P. S., & Girardin, S, 2007, Chronic inflammation: importance of NOD2 and NALP3 in interleukin-1β generation. Clinical & Experimental Immunology, 147(2), 227–235.
Jayaram, B., Singh, T., Mukherjee, G., Mathur, A., Shekhar, S., & Shekhar, V., 2012, Sanjeevini: a freely accessible web-server for target directed lead molecule discovery. BMC Bioinformatics, 13(17), 1–13.
Jensen, F., 2017, Introduction to Computational Chemistry Computational Chemistry. In Theoretical Chemistry Accounts.
Kharisma, V., Widyananda, M., Nege, A., Naw, S., & Nugraha, A., 2021, Tea catechin as antiviral agent via apoptosis agonist and triple inhibitor mechanism against HIV-1 infection: A bioinformatics approach. Journal of Pharmacy & Pharmacognosy Research, 9, 435–445.
Lagunin, A., Stepanchikova, A., Filimonov, D., & Poroikov, V., 2000, PASS: prediction of activity spectra for biologically active substances. Bioinformatics, 16(8), 747–748.
Leelananda, S. P., & Lindert, S., 2016, Computational methods in drug discovery. Beilstein J. Org. Chem., 12, 2694.
Lipinski, C. A., 2004, Lead- and drug-like compounds: the rule-of-five revolution. Drug Discovery Today: Technologies, 1(4), 337–341.
Maseda, D., & Ricciotti, E., 2020, NSAID–gut microbiota interactions. Frontiers in Pharmacology, 11, 1153.
Muchtaridi, Y. A., Megantara, S., & Purnomo, H., 2018, Kimia Medisinal: Dasar-Dasar dalam Perancangan Obat (Pertama). Prenamedia Group, Jakarta.
Pires, D. E. V, Kaminskas, L. M., & Ascher, D. B., 2018, Prediction and optimization of pharmacokinetic and toxicity properties of the ligand. In Computational drug discovery and design (pp. 271–284). Springer.
Pradeepkiran, J. A., Yellapu, N. K., & Matcha, B., 2016, Modeling, molecular docking, probing catalytic binding mode of acetyl-CoA malate synthase G in Brucella melitensis 16M. Biochemistry and Biophysics Reports.
Rahmaningsih, S., & Pujiastutik, H., 2019, An in vitro and in silico evaluation of the antibacterial activity of the bioactive compounds in Majapahit (Crescentia cujete L.) fruit. Veterinary World, 12(12), 1959–1965.
Trott, O., & Olson, A. J., 2010, AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. Journal of Computational Chemistry, 31(2), 455–461.
Tukiran, T., Suyatno, S., & Safitri, F. N., 2021, Identification of the Chemical Constituents of the Selected Fraction of the Dichloromethane Extract of Syzygium samarangense Stem Bark Using LC-ESI-MS and Evaluation Its Potential as Antifungal Agent. Indonesian Journal of Chemistry, 21(2), 340–349.
Young, D. C., 2009, Computational Drug Design. In Wiley. John Wiley & Sons, Ltd.
Zhang, Y., & Jordan, J. M., 2010, Epidemiology of osteoarthritis. Clinics in Geriatric Medicine, 26(3), 355–369.
Zhao, H., Wu, L., Yan, G., Chen, Y., Zhou, M., Wu, Y., & Li, Y., 2021, Inflammation and tumor progression: signaling pathways and targeted intervention. Signal Transduction and Targeted Therapy, 6(1), 263.
Copyright (c) 2022 Jurnal Kimia Riset
This work is licensed under a Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International License.
COPYRIGHT NOTICE
1. By submitting the article to Jurnal Kimia Riset (JKR), the author has agreed to transfer some of the copyrights to the publisher of the research chemistry journal, Universitas Airlangga, indicated in the Copyright Transfer Agreement.
2. Authors still retain significant rights to use and share their own published articles for non-commercial purposes subject to Creative Commons Attribution-NonComercial 4.0 International License
3. All publications (printed/electronic) are open access for educational purposes, research, library, and other non-commercial purposes. Besides the purposes mentioned above, the editorial board is not responsible for copyright violations.