Prediksi Aktivitas Fitoestrogenik Senyawa Golongan Flavonoid terhadap Receptor Estrogen ? (ER- ?) dengan pendekatan In Silico
Prediction of Phytoestrogenic Activity of Flavonoid Compounds against Estrogen Receptor ? (ER- ?) with In silico approach
DOI:
https://doi.org/10.25026/jsk.v3i4.640Keywords:
Fitoestrogen, Flavonoid, Molecular DockingAbstract
Tubuh manusia akan mengalami penuaan dan menyebabkan kenaikan resiko penyakit dan pada akhirnya menyebabkan kematian. Fenomena tersebut dapat muncul salah satunya akibat penurunan homeostasis tubuh karena menurunnya hormon estrogen. Salah satu senyawa yang berpotensi mengatasi keadaan tersebut adalah fitoestrogen dari golongan flavonoid. Potensi senyawa flavonoid dengan aktivitas fitoestrogenik, dapat diketahui dengan melakukan pengamatan In silico terhadap Estrogen Receptor ? (ER-?) dengan molecular docking. Tujuan penelitian ini adalah untuk mengetahui mekanisme senyawa fitoestrogen melalui jalur ER-dependent lain seperti ER-?. Tahapan molecular docking dilakukan menggunakan plug-in Autodock Vina dalam PyRX 0.8. Hasilnya diketahui senyawa apigenin, quercetin, kaempferol, katekin, genistein dan daidzein memiliki interaksi agonis terhadap ER-?. Interaksi yang diperoleh dapat menggambarkan bahwa senyawa tersebut mampu memberikan aktivitas estrogenik ketika membentuk ikatan ligan reseptor.
References
[1] Vasto, S., Scapagnini G., Bulati, M., Candore, G., Castiglia, L., Colonna-Romano, G. Biomarkers of Aging. Front Biosci (Scholed). Vol. 2 (1): 392-402.
[2] Steve, C. J., Spector, T. D., Jackson, S. H. 2012. Ageing, Genes, Environtment and Epigenetics: What Twin Studies Tell US Now, and in the Future. Age Aging. Vol. 41 (5): 581-6.
[3] Poulose, N dan Raju, R. 2014. Aging and Injury: Alteration in Cellular Energetics and Organ Function. Aging and Disease. Vol. 5 (2): 101-108.
[4] Villa, A., Vegeto, E., Poletti, A., Maggi, A. 2016. Estrogens, Neuroinflammation and Neurodegeneration. Endocrine Society. 37 (4): 372-402.
[5] Wagner, K-H., Cameron-Smith, D., Wessner, B., Franzke, B. 2016. Biomarkers of Aging: From Function to Molecular Biology. Nutrient. Vol. 8 (338):1-12.
[6] Horstman, A. M., Dillon, E. L., Urban, R. J., Sheffield-Moore, M. 2012. The Role of Androgens and Estrogens on Healthy Aging and Longevity. Journal of Gerontology: Biological Sciences. Vol. 67 (11): 1140-1152.
[7] Cui, J., Shen, Y, Li, R. 2013. Estrogen Synthesis and Signaling Pathways durin Aggeing: From Periphery to Brain. Trends Mol Med. 19(3): 197-209.
[8] Ma’arif, B., Mirza, D. M., Hasanah, M., Laswati, H., Agil, M. 2019. Antineuroinflammation Activity of n-Butanol Fraction of Marsilea crenata Presl. in Microglia HMC3 Cell Line. Journal of Basic and Clinical Physiology and Pharmacology. 20190255: 1-6.
[9] Aditama, A. P. R., Ma’arif, B., Mirza, D. M., Laswati, H., Agil, M. 2020. In Vitro and In Silico Analysis on the Bone Formation Activity of n-Hexane Fraction of Semanggi (Marsilea crenata Presl.). Sys. Rev. Pharm. 11 (11), pp. 837-849.
[10] Yang, T-S., Wang, S-Y., Yang, Y-C., Su, C-H., Lee, F-K., Chen, S-C., Tseng, C-Y., Jou, H-J., Huang, J-P., Huang, K-E. 2012. Effects of standardized phytoestrogen on Taiwanese menopausal women. Elsevier : Taiwanese Journal of Obstetrics & Gynecology. Vol 51: 229-235.
[11] Lee, W-L., Tsui, K-H., Seow, K-M., Cheng, M-H., Su, W-H., Chen, C-P., Wang, P-H. 2013. Hormone therapy for postmenopausal women And unanswered issue. Elsevier : Gynecology and Minimally Invasive Therapy. Vol 2 (1): 13-17.
[12] Jantaratnotai A,N., Utaisincharoen B,P., Sanvarinda A,P., Thampithak C,A., Sanvarinda, Y. 2013. Phytoestrogens Mediated Anti-Inflammatory Effect Through Suppression Of IRF-1 and PSTAT 1 Expressions in Lipopolysaccharide-Activated Microglia. International Immunopharmacology 17: 483–488.
[13] Sirotkin, A.V., Harrath, A.H. 2014. Phytoestrogen And Their Effects. European Journal Of Pharmacology 741 : 230–236.
[14] Ganai, A. A. dan Farooqi, H. 2015. Bioactivity of Genistein: A Review of In vitro and In vivo Studies. Biomed Pharmacother. 76, pp. 30-38.
[15] Ma’arif, B. 2020. Aktivitas Antineuroinflamasi Ekstrak dan Fraksi Daun Semanggi (M. crenata Presl.) terhadap sel Mikroglia HMC3. Disertasi. Surabaya: Universitas Airlangga.
[16] Wadood, A., Ahmed, N., Shah, L., Ahmad, A., Hassan, H., Shams, S. 2013. In Silic Drug Design: An Approach Whish Revolutionarised the Drug Discovery Process. OA Drug Design and Delivery. 1 (1).
[17] Lipinski, C. A., Lombardo, F., Dominy, B. W., Freeny, P. J. 1997. Experimental and Computational Approaches to Estimate Solubility and Permeability in Drug Discovery and Development Settings. Advanced Drug Delivery Reviews. Vol. 46, pp. 3-26.
[18] Kelder, J., Grootenhuis, D. J. P., Bayada, D. M., Delbressine, P. C. L., Ploemen, J. P. 1999. Polar Molecular Surface as a Dominating Determinant for Oral Absorption and Brain Penetration of Drugs. Pharmaceutical Research. Vol. 16 (10).
[19] Daina, A., Michielin, O., Zoete, V. 2017. SwissADME: A Free Web Tool to Evaluate Pharmacokinetics, Drug-likeness and Medicinal Chemistry Friendliness of Small Molecules. Scientific Reports. Vol. 7, pp. 1-13
[20] Daina, A., Zoete, V. 2016. A Boiled-Egg to Predict Gastroisntestinal Absorption and Brain Penetration of Small Molecules. Chem Med Chem. Vol. 11 (11), pp. 1117-1121.
[21] Hanwell, M. D., Curtis, D. E., Lonie, D. C., Vandermeersch, T., Zurek, E., Hutchison, G. R. 2012. Avogadro: An Advenced Semantic Chemical Editor, Visualization and Analysis Platform. Journal of Cheminformatics. Vol. 4 (17).
[22] Troot, O dan Olson, A. J. 2010. AutoDock Vina: Improving the Speed and Accuracy of Docking with a New Scoring Function, Effecient Optimization and Multithreading. J. Comput Chem. Vol. 31 (2), pp. 455-461.
[23] Muchtaridi, M., Darmawan, D., Yusuf, M. 2018. Molecular Docking, 3D Structure Based Pharmacophore Modeling and ADME Prediction of Alpha Mangostin and Its Derivative Against Estrogen Receptor Alpha. J. Young Pharm. Vol. 10 (3).
[24] Sliwoski, G., Kothiwale, S., Meiler, J., Lowe, E. W. Jr. 2014. Computational Methods in Drug Discovery. Pharmacol Rev. Vol. 66, pp. 334-395.
[25] Siswandono dan Soekardjo, B. 1995. Kimia Medisinal. Surabaya: University of Airlangga Press
[2] Steve, C. J., Spector, T. D., Jackson, S. H. 2012. Ageing, Genes, Environtment and Epigenetics: What Twin Studies Tell US Now, and in the Future. Age Aging. Vol. 41 (5): 581-6.
[3] Poulose, N dan Raju, R. 2014. Aging and Injury: Alteration in Cellular Energetics and Organ Function. Aging and Disease. Vol. 5 (2): 101-108.
[4] Villa, A., Vegeto, E., Poletti, A., Maggi, A. 2016. Estrogens, Neuroinflammation and Neurodegeneration. Endocrine Society. 37 (4): 372-402.
[5] Wagner, K-H., Cameron-Smith, D., Wessner, B., Franzke, B. 2016. Biomarkers of Aging: From Function to Molecular Biology. Nutrient. Vol. 8 (338):1-12.
[6] Horstman, A. M., Dillon, E. L., Urban, R. J., Sheffield-Moore, M. 2012. The Role of Androgens and Estrogens on Healthy Aging and Longevity. Journal of Gerontology: Biological Sciences. Vol. 67 (11): 1140-1152.
[7] Cui, J., Shen, Y, Li, R. 2013. Estrogen Synthesis and Signaling Pathways durin Aggeing: From Periphery to Brain. Trends Mol Med. 19(3): 197-209.
[8] Ma’arif, B., Mirza, D. M., Hasanah, M., Laswati, H., Agil, M. 2019. Antineuroinflammation Activity of n-Butanol Fraction of Marsilea crenata Presl. in Microglia HMC3 Cell Line. Journal of Basic and Clinical Physiology and Pharmacology. 20190255: 1-6.
[9] Aditama, A. P. R., Ma’arif, B., Mirza, D. M., Laswati, H., Agil, M. 2020. In Vitro and In Silico Analysis on the Bone Formation Activity of n-Hexane Fraction of Semanggi (Marsilea crenata Presl.). Sys. Rev. Pharm. 11 (11), pp. 837-849.
[10] Yang, T-S., Wang, S-Y., Yang, Y-C., Su, C-H., Lee, F-K., Chen, S-C., Tseng, C-Y., Jou, H-J., Huang, J-P., Huang, K-E. 2012. Effects of standardized phytoestrogen on Taiwanese menopausal women. Elsevier : Taiwanese Journal of Obstetrics & Gynecology. Vol 51: 229-235.
[11] Lee, W-L., Tsui, K-H., Seow, K-M., Cheng, M-H., Su, W-H., Chen, C-P., Wang, P-H. 2013. Hormone therapy for postmenopausal women And unanswered issue. Elsevier : Gynecology and Minimally Invasive Therapy. Vol 2 (1): 13-17.
[12] Jantaratnotai A,N., Utaisincharoen B,P., Sanvarinda A,P., Thampithak C,A., Sanvarinda, Y. 2013. Phytoestrogens Mediated Anti-Inflammatory Effect Through Suppression Of IRF-1 and PSTAT 1 Expressions in Lipopolysaccharide-Activated Microglia. International Immunopharmacology 17: 483–488.
[13] Sirotkin, A.V., Harrath, A.H. 2014. Phytoestrogen And Their Effects. European Journal Of Pharmacology 741 : 230–236.
[14] Ganai, A. A. dan Farooqi, H. 2015. Bioactivity of Genistein: A Review of In vitro and In vivo Studies. Biomed Pharmacother. 76, pp. 30-38.
[15] Ma’arif, B. 2020. Aktivitas Antineuroinflamasi Ekstrak dan Fraksi Daun Semanggi (M. crenata Presl.) terhadap sel Mikroglia HMC3. Disertasi. Surabaya: Universitas Airlangga.
[16] Wadood, A., Ahmed, N., Shah, L., Ahmad, A., Hassan, H., Shams, S. 2013. In Silic Drug Design: An Approach Whish Revolutionarised the Drug Discovery Process. OA Drug Design and Delivery. 1 (1).
[17] Lipinski, C. A., Lombardo, F., Dominy, B. W., Freeny, P. J. 1997. Experimental and Computational Approaches to Estimate Solubility and Permeability in Drug Discovery and Development Settings. Advanced Drug Delivery Reviews. Vol. 46, pp. 3-26.
[18] Kelder, J., Grootenhuis, D. J. P., Bayada, D. M., Delbressine, P. C. L., Ploemen, J. P. 1999. Polar Molecular Surface as a Dominating Determinant for Oral Absorption and Brain Penetration of Drugs. Pharmaceutical Research. Vol. 16 (10).
[19] Daina, A., Michielin, O., Zoete, V. 2017. SwissADME: A Free Web Tool to Evaluate Pharmacokinetics, Drug-likeness and Medicinal Chemistry Friendliness of Small Molecules. Scientific Reports. Vol. 7, pp. 1-13
[20] Daina, A., Zoete, V. 2016. A Boiled-Egg to Predict Gastroisntestinal Absorption and Brain Penetration of Small Molecules. Chem Med Chem. Vol. 11 (11), pp. 1117-1121.
[21] Hanwell, M. D., Curtis, D. E., Lonie, D. C., Vandermeersch, T., Zurek, E., Hutchison, G. R. 2012. Avogadro: An Advenced Semantic Chemical Editor, Visualization and Analysis Platform. Journal of Cheminformatics. Vol. 4 (17).
[22] Troot, O dan Olson, A. J. 2010. AutoDock Vina: Improving the Speed and Accuracy of Docking with a New Scoring Function, Effecient Optimization and Multithreading. J. Comput Chem. Vol. 31 (2), pp. 455-461.
[23] Muchtaridi, M., Darmawan, D., Yusuf, M. 2018. Molecular Docking, 3D Structure Based Pharmacophore Modeling and ADME Prediction of Alpha Mangostin and Its Derivative Against Estrogen Receptor Alpha. J. Young Pharm. Vol. 10 (3).
[24] Sliwoski, G., Kothiwale, S., Meiler, J., Lowe, E. W. Jr. 2014. Computational Methods in Drug Discovery. Pharmacol Rev. Vol. 66, pp. 334-395.
[25] Siswandono dan Soekardjo, B. 1995. Kimia Medisinal. Surabaya: University of Airlangga Press
Downloads
Published
2021-08-31
How to Cite
Mirza, D. M. ., Ma’arif, B. ., Purbosari, I., Hardjono, S., & Agil, M. . (2021). Prediksi Aktivitas Fitoestrogenik Senyawa Golongan Flavonoid terhadap Receptor Estrogen ? (ER- ?) dengan pendekatan In Silico: Prediction of Phytoestrogenic Activity of Flavonoid Compounds against Estrogen Receptor ? (ER- ?) with In silico approach. Jurnal Sains Dan Kesehatan, 3(4), 512–519. https://doi.org/10.25026/jsk.v3i4.640
Issue
Section
Articles
