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SKRINING SENYAWA AKTIF DARI BALIK ANGIN A. excels (Fenzl) Benth. TERHADAP RESEPTOR TNF-alpha convertase (TACE) DENGAN METODE DOCKING

Indonesia

Authors

  • Samsul Hadi Universitas lambung mangkurat
  • Ana Maulana
  • Kunti Nastiti

DOI:

https://doi.org/10.36423/pharmacoscript.v4i2.727

Keywords:

TNF-α, A.excels, stabilitas interaksi

Abstract

Tumor necrosis factor-alpha (TNF-α) merupakan sitokin proinflamasi yang terlibat dalam berbagai penyakit seperti radang selaput otak, rematik, asma, tuberkolosiS, periontitis kronis, crohn desease, hepatitis dan sinusitis hidung. Sehingga ekspresinya perlu dikontrol untuk mengatasi penyakit ini. Penelitian ini bertujuan melakukan skrining inhibitor reseptor TNF-alpha convertase (TACE) sehingga menurunkan ekspersi TNF-α. Dengan menurunnya produksi TNF-α maka dapat sebagai antiinflamasi atau imunosupresan. Salah satu tanaman yang dapat dipergunakan untuk skrining ini adalah A.excels. Metode yang dipergunakan untuk skrining melalui PASSonline dan Docking dengan PLANTS serta dilihat prediksi memasuki peredaran darah dengan SWISSADME. Berdasarkan PASSonline Senyawa yang memiliki skor probability to be active imunosupreasant tinggi adalah batulinic acid (0,724), alphitolic acid (0,763), cis-coumaroyl alphitolic acid (0,771). Sedangkan yang memiliki probability to be active antiinflamasi adalah batulinic acid (0,741) dan cis-coumaroyl alphitolic acid (0,783). Berdasarkan stabilitas interaksi, senyawa yang memiliki kemampuan minimal 80% terhadap ligand referensi adalah alphitonin (98,25%), alphitexolide (92,33%), cis-coumaroyl alphitolic acid (98,31%). Kesimpulannya senyawa yang berpotensi yang memiliki stabilitas interaksi yang bagus adalah cis-coumaroyl alphitolic acid dan alphitonin

References

Aggarwal, B. B., & Natarajan, K. (1996). Tumor necrosis factors: developments during the last decade. European Cytokine Network, 7(2), 93–124.

Bemelmans, M. H., van Tits, L. J., & Buurman, W. A. (1996). Tumor necrosis factor: function, release and clearance. Critical Reviews in Immunology, 16(1), 1–11. https://doi.org/10.1615/critrevimmunol.v16.i1.10

Black, R. A., Rauch, C. T., Kozlosky, C. J., Peschon, J. J., Slack, J. L., Wolfson, M. F., Castner, B. J., Stocking, K. L., Reddy, P., Srinivasan, S., Nelson, N., Boiani, N., Schooley, K. A., Gerhart, M., Davis, R., Fitzner, J. N., Johnson, R. S., Paxton, R. J., March, C. J., & Cerretti, D. P. (1997). A metalloproteinase disintegrin that releases tumour-necrosis factor-alpha from cells. Nature, 385(6618), 729–733. https://doi.org/10.1038/385729a0

Branch, G., Burgess, D., Dunstan, P., Foo, L., Green, G., Mack, J. G., Ritchie, E., & Taylor, W. (1972). Constituents of Alphitonia Species. III. Alphitexolide, a New Triterpene, and Other Extractives. Australian Journal of Chemistry, 25(10), 2209–2216. https://doi.org/10.1071/CH9722209

ChemAxon. (2016). ChemAxon - Software Solutions and Services for Chemistry and Biology. In MarvinSketch, Version 16.10.31. https://chemaxon.com/

Cock, I. E. (2020). Alphitonia excelsa (Fenzl) Benth. Leaf Extracts Inhibit the Growth of a Panel of Pathogenic Bacteria. Pharmacognosy Communications, 10(2), 67–74. https://doi.org/10.5530/pc.2020.2.14

Guo, Z., Orth, P., Wong, S.-C., Lavey, B. J., Shih, N.-Y., Niu, X., Lundell, D. J., Madison, V., & Kozlowski, J. A. (2009). Discovery of novel spirocyclopropyl hydroxamate and carboxylate compounds as TACE inhibitors. Bioorganic & Medicinal Chemistry Letters, 19(1), 54–57. https://doi.org/10.1016/j.bmcl.2008.11.034

Korb, O., Stützle, T., & Exner, T. E. (2009). Empirical scoring functions for advanced Protein-Ligand docking with PLANTS. Journal of Chemical Information and Modeling, 49(1), 84–96. https://doi.org/10.1021/ci800298z

Krieger, E., & Vriend, G. (2014). YASARA View—molecular graphics for all devices—from smartphones to workstations. Bioinformatics, 30(20), 2981–2982. https://doi.org/10.1093/bioinformatics/btu426

Lagunin, A., Stepanchikova, A., Filimonov, D., & Poroikov, V. (2000). PASS: prediction of activity spectra for biologically active substances. Bioinformatics (Oxford, England), 16(8), 747–748. https://doi.org/10.1093/bioinformatics/16.8.747

Lipinski, C. A. (2004). Lead- and drug-like compounds: the rule-of-five revolution. Drug Discovery Today. Technologies, 1(4), 337–341. https://doi.org/10.1016/j.ddtec.2004.11.007

Rodríguez, E., Arqués, J. L., Rodríguez, R., Nuñez, M., Medina, M., Talarico, T. L., Casas, I. A., Chung, T. C., Dobrogosz, W. J., Axelsson, L., Lindgren, S. E., Dobrogosz, W. J., Kerkeni, L., Ruano, P., Delgado, L. L., Picco, S., Villegas, L., Tonelli, F., Merlo, M., … Masuelli, M. (1989). Protein-Protein and Protein-Ligand Docking. Intech, 32(tourism), 137–144. https://www.intechopen.com/books/advanced-biometric-technologies/liveness-detection-in-biometrics

Systèmes, D. (2020). Free Download: BIOVIA Discovery Studio Visualizer - Dassault Systèmes.

https://discover.3ds.com/discovery-studio-visualizer-download#_ga=2.4935860.685747970.1587999055-a5d1c1c0-3176-11e9-a86f-e302515d21c8

William, S. (2021). Khasiat Tanaman Balik Angin Mengatasi Sakit Perut. https://pusakapusaka.com/balik-angin.html

Zhang, J.-M., & An, J. (2007). Cytokines, inflammation, and pain. International Anesthesiology Clinics, 45(2), 27–37. https://doi.org/10.1097/AIA.0b013e318034194e

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Published

2021-08-18 — Updated on 2021-08-23

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