In Silico Study of Soursop Leaf Compounds (Annona muricata L.) As Inhibitors of BRAF V600E Kinase in Melanoma Cancer
Abstract
Melanoma is a cancer that develops in melanocytes and manifests itself on the skin as lumps and uneven skin pigmentation. A chemotherapeutic medication called Vemurafenib is one of the medicines used to treat this malignancy. Chemotherapeutic drugs, on the other hand, are known to induce a variety of adverse effects in the body, thus alternative substances with the same potential but fewer side effects must be sought. This study was conducted utilizing an in silico technique, which included molecular docking, as well as Lipinski rules and PreADMET to predict the pharmacokinetic profile. Compounds found in soursop leaves (Annona muricata L.) have been shown to inhibit cell division by interacting with the BRAF V600E receptor. Reticuline has a Gibbs energy of -8.78; a 395.39 nM inhibition constant; and binds to the amino acids GLN A:530, CYS A: 532, and ASP A: 594.
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References
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Syahputra, B., Ambarsari, L., dan Sumaryada, T. (2014). Simulasi Docking Kurkumin Enol, Bisdemetoksikurkumin dan Analognya sebagai Inhibitor Enzim 12-Lipooksigenase. Jurnal Biofisika, 10(1): 55-67. https://journal.ipb.ac.id/index.php/biofisika/article/view/9354/7334
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American Cancer Society. (2019). Chemotherapy for Melanoma Skin Cancer. https://www.cancer.org/cancer/melanoma-skin-cancer/treating/chemotherapy.html#references
Doak, B.C., Over, B., Giordanetto, F., dan Kihlberg, J. (2014). Oral Druggable Spade Beyond The Rule of 5: Insights from Drugs and Clinical Candidates. Chemistry & Biology, 21 (9), 1115-1142. https://doi.org/10.1016/j.chembiol.2014.08.013
Goodwin, R.J.A., Bunch, J., dan McGinnity, D.F. 2017. Mass Spectrometry Imaging in Oncology Drug Discovery. Advances in Cancer Research, 134, 133-171. https://doi.org/10.1016/bs.acr.2016.11.005
Khaddour, K., Kurn, H., dan Zito, P.M. (2022). Vemurafenib. https://www.ncbi.nlm.nih.gov/books/NBK535429/
Kilo, A.L., Aman, L. O., Sabihi, I., dan Kilo, J.L. (2019). Studi Potensi Pirazolin Tersubstitusi 1-N dari Tiosemikarbazon sebagai Agen Antimuba Melalui Uji in silico. Indo. J. Chem. Res., 7 (1), 9-16. https://ojs3.unpatti.ac.id/index.php/ijcr/article/view/725
Kumar, R., Giri, A., Nadendla, R. R. (2018). In Silico ADME Profiling Of CDK9 Inhibitors. Journal of Scientific Research in Pharmacy. 7(3): 30-34. https://doi.org/10.5281/zenodo.1207094
Lestari, T. 2015. Studi Interaksi Senyawa Turunan 1,3- Dibenzoiltiourea sebagai Ribonukleotida Reduktase Inhibitor. Jurnal Farmasi Indonesia. Vol. 7: 163–169
Ma, C. & Armstrong, A. W. (2013). Severe adverse events from the treatment of advanced melanoma: a systematic review of severe side effects associated with ipilimumab, vemurafenib, interferon alfa-2b, dacarbazine and interleukin-2. Journal of Dermatological Treatment, 25(5), 401–408. https://doi.org/10.3109/09546634.2013.813897
Mustika, D.N.,dan Fakih, T.M., Aprilia, H. 2021. Uji In-Silico Aktivitas Melanogenesis Senyawa Turunan Betacyanin Buah Naga Merah (Hylocereus Polyhizuz) sebagai Inhibitor Enzim Tirosinase. Prosiding Farmasi, 7(2): 443-446. https://karyailmiah.unisba.ac.id/index.php/farmasi/article/view/29391/
National Cancer Institute. (2021). Melanoma Treatment. https://www.cancer.gov/types/skin/hp/melanoma-treatment-pdq
Nurgali, K., Jagoe, R. T., & Abalo, R. (2018). Editorial: Adverse Effects of Cancer Chemotherapy: Anything New to Improve Tolerance and Reduce Sequelae?. Frontiers in pharmacology, 9, 245. https://doi.org/10.3389/fphar.2018.00245
Ott PA.(2019). Intralesional Cancer Immunotherapies. Hematol Oncol Clin North Am, 33(2), 249-260. https://doi.org/10.1016/j.hoc.2018.12.009
Pratama, A.A., Rifai, Y., Marzuki,A. (2017). Docking Molekuler Senyawa 5,5’-Dibromometilsesamin. Majalah Farmasi dan Farmakologi, 21(3), 67-69. https://doi.org/10.20956/mff.v21i3.6857
Prieto-Callejero, B., Rivera, F., Fagundo-Rivera, J., Romero, A., Romero-Martín, M., Gómez-Salgado, J., & Ruiz-Frutos, C. (2020). Relationship between chemotherapy-induced adverse reactions and health-related quality of life in patients with breast cancer. Medicine, 99(33), 21695. https://doi.org/10.1097/MD.0000000000021695
Saginala, K.,Barsouk, A., Aluru, J.S., Rawla, P., Barsouk,A. (2021). Epidemiology of Melanoma. Medical Science, 9(4), 63. https://doi.org/10.3390%2Fmedsci9040063
Santarpia, L., Lippman, S.L., dan El-Naggar, A. 2012. Targeting the Mitogen-Activated Protein Kinase RAS-RAF Signaling Pathway in Cancer Therapy. Expert Opinion in Theurapeutic Targets, 16(1), 113-119. https://doi.org/10.1517/14728222.2011.645805
Siswarni, M., Nurhayani., Sinaga, S. 2016. Ekstraksi asetogenin dari daun dan biji Sirsak (Annona muricata L.) dengan Pelarut Aseton. Jurnal Teknik Kimia USU, 5(2), 1-4. https://doi.org/10.32734/jtk.v5i2.1533
Syakir, M. A. dan Anggraini, D. I. (2020). Terapi Imunologi Pada Melanoma. Jurnal Ilmiah Kedokteran Indonesia, 8(2), 103–110. https://doi.org/10.53366/jimki.v8i2.118
Syahputra, B., Ambarsari, L., dan Sumaryada, T. (2014). Simulasi Docking Kurkumin Enol, Bisdemetoksikurkumin dan Analognya sebagai Inhibitor Enzim 12-Lipooksigenase. Jurnal Biofisika, 10(1): 55-67. https://journal.ipb.ac.id/index.php/biofisika/article/view/9354/7334
Tarhini A, Atzinger C, Gupte-Singh K, Johnson C, Macahilig C, Rao S. (2019). Treatment patterns and outcomes for patients with unresectable stage III and metastatic melanoma in the USA. J Comp Eff Res, 8(7), 461-473. https://doi.org/10.2217/cer-2019-0003
WHO. (2022). Cancer pada Mei 2022. https://www.who.int/news-room/fact-sheets/detail/cancer
Wahab, S.M.A., Jantan, I., Haque, Md.A., dan Arshad, L. 2018. Exploring the Leaves of Annona muricata L. as a Source of Potential Anti-inflammatory and Anticancer Agents. Frontiers in Pharmacology, 9(661), 1-20. https://doi.org/10.3389%2Ffphar.2018.00661
Published
2023-01-31
How to Cite
DEWAYANI, Audry Rahma et al.
In Silico Study of Soursop Leaf Compounds (Annona muricata L.) As Inhibitors of BRAF V600E Kinase in Melanoma Cancer.
Jurnal Farmasi Udayana, [S.l.], p. 80-88, jan. 2023.
ISSN 2622-4607.
Available at: <https://ojs.unud.ac.id/index.php/jfu/article/view/88474>. Date accessed: 11 may 2024.
doi: https://doi.org/10.24843/JFU.2022.v11.i02.p07.
Section
Articles
