Active Compounds in Broadleaf Mahogany (Swietenia macrophylla) Seeds as Antiaging Agent Based on Molecular Docking Study
Abstrak
Munculnya flek coklat dan kerutan bisa menjadi tanda penuaan yang bisa meningkatkan risiko kanker. Senyawa dalam biji mahoni berdaun lebar (Swietenia macrophylla) banyak mengandung senyawa dan diketahui memiliki aktivitas antikanker. Tujuan dari penelitian ini adalah untuk menentukan senyawa dalam biji mohani berdaun lebar yang berpotensi sebagai antiaging dengan menganalisis interaksi molekuler docking-nya pada enzim MMP-1 (matrix metalloproteinase), NEP (neprilysin), PPO3 (polyphenol oxidase), dan sebagai penunjang pencarian senyawa antikanker. Dua senyawa yang berpotensi sebagai inhibitor kuat terhadap enzim MMP-1 dan PPO3, yaitu β-cytostenone dan 3β-hydroxystigmast-5-en-7-on yang merupakan golongan steroid, serta germacrena A dan germacrena D yang merupakan golongan terpenoid. . Hanya 3β-hidroksistigmast-5-en-7-on yang berpotensi sebagai penghambat kuat enzim NEP. Semua senyawa berpotensi menjadi inhibitor kuat menurut aturan Lipinski. Hanya senyawa yang berikatan dengan enzim PPO3 yang memiliki aktivitas lebih baik dari ligan alami berdasarkan nilai ΔG dan Binding Site Similarity (BSS).
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Referensi
Asoka SF, Wahyuni WT, Batubara I, Wahyudi ST. 2022a. Red ginger (Zingiber officinale var. rubrum): Its essential oil content and potential as an anti-Propionibacterium acnes by molecular docking. AIP Conference Proceedings. 2563(1):1–9. https://doi.org/10.1063/5.0103211.
Asoka SF, Batubara I, Lestari AR, Wahyuni WT, Wahyudi ST. 2022b. Compounds in Indonesian ginger rhizome extracts and their potential for anti-skin aging based on molecular docking. Cosmetics. 9(128):1–15.
Attique SA, Hassan M, Usman M, Atif RM, Mahboob S, Al-Ghanim KA, Bilal M, Nawaz MZ. 2019. A molecular docking approach to evaluate the pharmacological properties of natural and synthetic treatment candidates for use against hypertension. International Journal of Environmental Research and Public Health. 16(923):1–17. doi:10.3390/ijerph16060923.
Burke KE. 2020. Environmental aging of the skin: new insights. Plastic and Aesthetic Research. 7(59):1–16. doi:10.20517/2347-9264.2020.154.
Chairunnisa A, Runadi D. 2017. Aktivitas kalkon terhadap reseptor esterogen β (ER- β) sebagai antikanker payudara secara in vitro dan in silico: review. Farmaka. 14(2):1–8.
Chen YM, Li C, Zhang WJ, Shi Y, Wen ZJ, Chen QX, Wang Q. 2019. Kinetic and computational molecular docking simulation study of novel kojic acid derivatives as anti-tyrosinase and antioxidant agents. Journal of Enzyme Inhibition and Medicinal Chemistry. 34(1):990–998. doi:10.1080/14756366.2019.1609467.
Dompeipen EJ, Simanjuntak P. 2015. Aktivitas antidiabetes dan antioksidan kapang endofit dari tanaman mahoni (Swietenia macrophylla King). Biopropal Industri. 6(1):7–17.
Du X, Li Y, Xia Y, Ai S, Liang J, Sang P, Ji X, Liu S. 2016. Insights into protein ligand interactions: mechanisms, models, and methods. International Journal of Molecular Sciences. 17(144):1–34. doi:10.3390/ijms17020144.
Durai MV, Balamuniappan G, Geetha S. 2016. Phytochemical screening and antimicrobial activity of leaf, seed and central-fruit-axis crude extract of Swietenia macrophylla King. Journal of Pharmacognosy and Phytochemistry. 5(3):181–186. ISSN:2278-4136.
Hanum FJ, Supriana N. 2019. Peran radioterapi pada melanoma kulit. Radioterapi & Onkologi Indonesia.10(1):22–26.
Huertas ACM, Schmelzer CEH, Luise C, Sippl F, Pietzsch M, Hoehenwarter W, Heinz A. 2018. Degradation of tropoelastin and skin elastin by neprilysin. Biochimie. 146:73–78. doi:10.1016/j.biochi.2017.11.018.
Kalpana K, Pugalendi KV. 2011. Antioxidative and hypolipidemic efficacy of alcoholic seed extract of Swietenia macrophylla in streptozotocin diabetic rats. Journal of Basic and Clinical Physiology and Pharmacology. 22(1–2):11–21. doi:10.1515/JBCPP.2011.001.
Kelutur FJ, Mustarichie R, Umar AK. 2020. Virtual screening kandungan senyawa kipas laut (Gorgonia mariae) sebagai antiasma. ALCHEMY Jurnal Penelitian Kimia. 16(2):199–210. doi:10.20961/alchemy.16.2.3996.199–210.
Kintamani E, Batubara I, Kusmana C, Tiryana T, Mirmanto E, Asoka SF. 2023. Essential oil compounds of andaliman (Zanthoxylum acanthopodium DC.) fruit varieties and their utilization as skin anti-aging using molecular docking. Life. 13(754): 1–13.
Lestari AR, Batubara I, Wahyudi ST, Ilmiawati A, Achmadi SS. 2022. Bioactive compounds in garlic (Allium sativum) and black garlic as antigout agents, using computer simulation. Life. 12(1131): 1–15.
Lipinski CA. 2016. Rule of five in 2015 and beyond: target and ligand structural limitations, ligan chemistry structure and drug discovery project decisions. Advanced Drug Delivery Reviews. 34–41. doi:10.1016/j.addr.2016.04.029.
Makatita FA, Wardhani R, Nuraini. 2020. Riset in silico dalam pengembangan sains di bidang pendidikan, studi kasus: analisis potensi cendana sebagai agen anti-aging. Jurnal ABDI. 2(1): 59–67. ISSN:2716-0122.
Moghadamtousi SZ, Goh BH, Chan CK, Shabab T, Kadir HA. 2013. Biological activities and phytochemicals of Swietenia macrophylla King. Molecules. 18:10465–10483. doi:10.3390/molecules180910465.
Mumpuni E, Mulatsari E. 2018. Molecular docking and toxicity test of apigenin derivative compounds as an antiaging agent. Journal of Applied Chemical Science. 5(1):409–413. doi:10.22341/jacs.on.00501p409.
Muttaqin FZ, Pratama MF, Kurniawan F. 2019. Molecular docking and molecular dynamic studies of stilbene derivative compounds as sirtuin-3 (SIRT3) histone deacetylase inhibitor on melanoma skin cancer and their toxicities prediction. Journal of Pharmacopolium. 2(2):112–121. ISSN:2621-1521.
Nurlela N, Awaluddin F, Batubara I, Wahyudi ST. 2022. Computational study of kaurene diterpenoids for antivirals against SARS-CoV-2. Journal of Applied Pharmaceutical Science. 12(8): 112–129.
Pittayapruek P, Meephansan J, Prapapan O, Komine M, Ohtsuki M. 2016. Role of matrix metalloproteinases in photoaging and photocarcinogenesis. International Journal of Molecular Sciences. 17(868):1–20. doi:10.3390/ijms17060868.
Prasetiawati R, Suherman M, Permana B, Rahmawati. 2021. Molecular docking study of anthocyanidin compounds against epidermal growth factor (EGFR) as anti-lung cancer. Indonesian Journal of Pharmaceutical Science and Technology. 8(1):8–20.
Rachmania RA, Supandi, Larasati OA. 2015. Analisis in-silico senyawa diterpenoid lakton herba sambiloto (Andrographis paniculata Nees) pada reseptor alpha-glucosidase sebagai antidiabetes tipe II. Pharmacy. 12(2):210–222. ISSN:1693–3591.
Saputri KE, Fakhmi N, Kusumaningtyas E, Priyatama D, Santoso B. 2016. Docking molekular potensi anti diabetes melitus tipe 2 turunan zerumbon sebagai inhibitor aldosa reduktase dengan Autodock-Vina. Chimica et Natura Acta. 4(1):16–20.
Syahputra G, Ambarsari L, Sumaryada T. 2014. Simulasi docking kurkumin enol, bisdemetoksikurkumin dan analognya sebagai inhibitor enzim 12- lipoksigenase. Jurnal Biofisika. 10(1):55–67.
Tohir D, Sari F, Suparto IH. 2020. Cytotoxicity of the most active fraction of the seeds of Swietenia macrophylla using human breast cancer MCF-7 cells. Journal of Scientific and Applied Chemistry. 23(7):234–237. doi:10.1470/jksa.23.7.234-237.
Trott O, Olson AJ. 2010. Autodock vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading. Journal of Computational Chemistry. 31:455–461. doi:10.1002/jcc.21334.
Widowati W, Ginting CN, Lister INE, Girsang E, Amalia A, Wibowo SHB, Kusuma HSW, Rizal. 2020. Anti-aging effects of mangosteen peel extract and its phytochemical compounds: antioxidant activity, enzyme inhibition and molecular docking simulation. Tropical Life Sciences Research. 31(3):127–144. doi:10.21315/tlsr2020.31.3.9.
Wongrattanakamon P, Nimmanpipug P, Sirithunyalug B, Chaiyana W, Jiranusornkul S. 2018. Investigation of the skin anti-photoaging potential of Swertia chirayita secoiridoids through the AP-1/matrix metalloproteinase pathway by molecular modeling. International Journal of Peptide Research and Therapeutics. 25:517–533. doi:10.1007/s10989- 018-9695-8.
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