Potensi Senyawa Aktif Ekstrak Kayu Manis Padang (Cinnamomum burmanii) sebagai Inhibitor Enzim Aldose Reductase secara Moleculer Docking
DOI:
https://doi.org/10.30595/jrst.v6i2.14262Keywords:
Diabetes, Kayu Manis Padang Aldose Reductase, Molecular DockingAbstract
Neuropati diabetes merupakan salah satu komplikasi yang diakui berhubungan dengan meningkatnya stres oksidatif. Penyebab stres oksidatif dapat dicegah dengan menghambat enzim aldose reductase. Penelitian ini dilakukan untuk mempelajari potensi senyawa aktif ekstrak kayu manis padang sebagai inhibitor enzim aldose reductase secara molecular docking dengan menggunakan beberapa analisis diantaranya aturan Lipinski, nilai energi ikatan bebas Gibbs (∆G), nilai RMSD (Root Mean Square Deviation) dan interaksi residu asam amino. Hanya senyawa levoglucosan yang tidak dikonsumsi secara oral karena tidak memenuhi lebih dari satu aturan Lipinski. Adapun hasil senyawa aktif yang paling memiliki potensi penghambatan terhadap aldose reductase terbaik diantaranya adalah phenol; 1,2-benzenediol; 4-methyl-catechol; p-cresol; (E)-cinnamaldehyde; dan cinnamyl alcohol. Interaksi hidrogen antara ligan dan reseptor enzim aldose reductase banyak terjadi pada residu asam amino CYS303 dan THR113, sedangkan interaksi hidrofobik banyak terjadi pada residu asam amino LEU300 dan TYR309. Hasil molecular docking menunjukkan senyawa senyawa ekstrak kayu manis padang berpotensi sebagai inhibitor enzim aldose reductase.
References
Alusinsing, G., Bodhi, W., dan Sudewi, S. (2014). Uji Efektivitas Kulit Batang Kayu Manis (Cinnamomum burmanii) Terhadap Penurunan Kadar Gula Darah Tikus Putih Jantan Galur Wistar (Rattus Norvegicus) yang Diinduksi Sukrosa. Pharmacon Jurnal Ilmiah Farmasi, 3(3), 2302–2493.
Anggriawan, B. Made., Roswiem , P. Anna., dan Nurcholis, Waras. (2015). Potensi Ekstrak Air dan Etanol Kulit Batang Kayu Manis Padang (Cinnamomum burmanii) Terhadap Aktivitas Enzim A-Glukosidase. Jurnal Kedokteran Yarsi, 23 (2) : 091-10
Arwansyah, dan Hasrianti. 2014. Simulasi Molecular Docking Senyawa Kurkumin dan Analoginya sebagai Selective Androgen Reseptor Modulator (SARMS) pada Kanker Prostat. Jurnal Dinamika, 5(2):60-75.
Atkins, P. And Paula J.D. (2006). Atkins’ Physical Chemistry 8th Edition. Oxford: Oxford University Press.
Baber, J.C., David C.T., Jason B. C., and Chiristine H. (2009). Gard: A Generally Applicable Replacement For Rmsd. Journal Chem Info 49, 1889 -1900.
Bahi, R.R.R., Herowati, R., dan Harmastuti, N. (2020). Studi Biokemoinformatika Kandungan Kimia Daun Sambiloto (Andrographis paniculata (Blum.F.) Nees) Sebagai Antihiperglikemia Serta Prediksi Parameter Farmakokinetik dan Toksisitas. Pharmacy: Jurnal Farmasi Indonesia 17, 466 – 47.
Demir, Y., Durmaz, L., Taslimi, P., and Gilcin I. (2019). Antidiabetic Properties of Dietary Phenolic Compounds: Inhibition effects on α-amilase, aldose reductase, and α-glukosidase. Biotechnology and Applied Biochemistry, 66(5):781-786.
Fitrilia, T., Kurniawan, M.,F., Kurniawati, F.,R., and Setiawan, T. 2020. The Potential of Butterfly Pea Flower Methanol Extract as an Antioxidant by In Silico. Indonesin Journal of Applied Research, 1(3), 163-169.
Hongxiang, H., Tang, G., And Liang, W.G.V. (2009). Chinese Medicine:Hypoglycemic Herbs and Their Action Mechanisms. Biomed Central 4 (11): 1-11.
Howard, E. R., Sanishvili, R., Cachau, R. E., Mitschler, A., Chevrier, B., Barth, P., Lamour, V., Van Zandt, M., Sibley, E., Bon, C., Moras, D., Schneider, T.R., Joachimiak, A. And Podjarny, A. (2004). Ultrahigh Resolution Drug Design I: Details Of Interactions In Human Aldose Reductase-Inhibitor Complex At 0.66 Å. Proteins:Struct. Funct. Genet 55, 792–804.
Kato, A., H. Yasuko., H. Goto., J. Hollinshead., R. J. Nash., And I. Adachi. (2009). Inhibitory Effect Of Rhetsinineisolated From Evodia Rutaecarpa On Aldose Reductase Activity. Phytomedicine 16:258–261.
Lins L and Brasseur R. (1995). The Hydrofobic Effect In Protein Folding. Faseb J 9: 535-340.
Lipinski, C.A. (2004). Lead-And Drug-Like Compound:The Rule Of Five Revolution. Article In Drug Discovery Today Technologies 1(4): 337-41.
Lipinski, C.A., Lombardo, F., Dominy, B.W., and Feeney, F.J. (1997). Experimental and Computational Approaches To Estimate Solubility and Permeability In Drug Discovery and Development Settings. Advanced Drug Delivery Reviews 23, 3-25.
Lipinski, C.A., Lombardo, F., Dominy, B.W., and Feeney, P.J . (2001). Experimental and Computational Approaches To Estimate Solubility and Permeability In Drug Discovery and Development Settings. Adv. Drug Deliv. Rev 46 , 3–26.
Moreira, R., Soldera, A., Cury, B., Meireles, C., and Kupfer, R. (2015). Is Cognitive Impairment Associated With The Presence and Severity Of Peripheral Neuropathy In Patients With Type 2 Diabetes Mellitus. Biomed Central. DOI 10.1186/S13098-015-0045
Patrick, G. (2001). Instant Notes In Medicinal Chemistry. BIOS Scientific Publisher, Oxford.
Rahayu, D.,U,.C., Hakim, R.,A., Mawarni, S.,A., Satriani, A.R,. (2022) Indonesian Cinnamon (Cinnamomum burmannii): Extraction, Flavonoid Content, Antioxidant Activity, and Stability in the Presence of Ascorbic Acid. Cosmetics 9(57), 1-15.
Setiawan, T. (2015). Studi Molecular Docking Ekstrak Kurkuminoid Asal Wonogiri Sebagai Inhibitorenzimdna Topoisomerase Ii [Tesis]. Departemen Biokimia, Institut Pertanian Bogor. Bogor.
Sjahrir, S. (2006). Diabetic Neuropathy: The Pathoneurobiology And Treatment Update. Medan: USU Press. Hal 1–47
Steuber, H., Zentgraf, M., Gerlach, C., Sotriffer, C.A., Heine, A., And Klebe G. (2006). Expect The Unexpected Or Caveat For Drug Designers: Multiple Structure Determinations Using Aldose Reductase Crystals Treated Under Varying Soaking and Co-Crystallisation Conditions. J. Mol. Biol. 363, 174-187
Steuber, H., Heine, A., and Klebe G. (2007). Structural And Thermodynamic Study On Aldose Reductase: Nitro-Substituted Inhibitor With Strong Enthalpic Binding Contribution. J. Mol. Biol. 368, 618-638.
Suhadi, A., Rizalullah., dan Feriyani. (2019). Simulasi Docking Senyawa Aktif Daun Binahong Sebagai Inhibitor Enzime Aldose Reductase. SEL Jurnal Penelitian Kesehatan 6(2), 45-65.
Zhu, R., Liu, H., Liu, C., Wang, L., Ma, R., Chen, B., Li, L., Niu, M.MF., Zhang, D., and Gao, S. (2017). Cinnamaldehyde in diabetes: A review of pharmacology, pharmacokinetics and safety. Pharmacological Reserch 122, 78-89.
Downloads
Published
How to Cite
Issue
Section
License
Copyright (c) 2022 Nawfal Imanudin, Muhammad Fakih Kurniawan, Titi Rohmayanti
This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.
Authors who publish with this journal agree to the following terms:
Authors retain copyright and grant the journal right of first publication with the work simultaneously licensed under a Creative Commons Attribution License that allows others to share the work with an acknowledgement of the work's authorship and initial publication in this journal.
Authors are able to enter into separate, additional contractual arrangements for the non-exclusive distribution of the journal's published version of the work (e.g., post it to an institutional repository or publish it in a book), with an acknowledgement of its initial publication in this journal.
Authors are permitted and encouraged to post their work online (e.g., in institutional repositories or on their website) prior to and during the submission process, as it can lead to productive exchanges, as well as earlier and greater citation of published work (See The Effect of Open Access)
JRST (Jurnal Riset Sains dan Teknologi) is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.
