Skrining Senyawa dari Tanaman Rhodomyrtus tomentosa (Aiton) Hassk terhadap SARS-CoV-2 ORF3a

Screening af Compounds from Plant Rhodomyrtus tomentosa (Aiton) Hassk against SARS-CoV-2 ORF3a

Authors

  • Samsul Hadi Universitas Lambung Mangkurat

DOI:

https://doi.org/10.33084/jsm.v6i2.2134

Keywords:

ORF3a, Rhodomyrtus tomentosa, watsonianone A

Abstract

The ORF3a protein from SARS-CoV has functions in terms of ion channel activity, modulates the trafficking properties of SARS-CoV spike (S) protein, increases fibrinogen expression in pulmonary epithelial cells, and induces apoptosis. So that research is needed to overcome the ORF3a experiment. The method in this research uses the computational screening method with autodok4 software. The results of this study resulted in free binding energy between Hassk Rhodomyrtus tomentosa (Aiton) and ORF3a compounds, namely: α-tocopherol-quinone (-5.86); blumeatin (-4.98); methyl cinnamate (-4.44); myricetin (-4.49); naringenin (-4.93); quercetin (-4,9); rhodomyrtone (-6); rhodomyrtosone B (-7.11); rhodomyrtosone C (-6.77); tetrahydroxyflavanone (-4.91); α-tocopherol A (-6.72); verimol K (-4.89); watsonianone A (-7.55). Based on the data obtained, the ligand with the most potential due to the stability of the bond is watsonianone A.

Downloads

Download data is not yet available.

References

1. Minakshi, R., Padhan, K., Rani, M., Khan, N., Ahmad, F., & Jameel, S. (2009). The SARS Coronavirus 3a protein causes endoplasmic reticulum stress and induces ligand-independent downregulation of the type 1 interferon receptor. PloS One, 4(12), e8342. https://doi.org/10.1371/journal.pone.0008342
2. McColl, M. A., Law, M., Baptiste, S., Pollock, N., Carswell, A., & Polatajko, H. J. (2005). Targeted applications of the Canadian Occupational Performance Measure. Canadian Journal of Occupational Therapy. Revue Canadienne d’ergotherapie, 72(5), 298–300. https://doi.org/10.1177/000841740507200506
3. Noorhidayah, N., & Sidiyasa, K. (2005). KEANEKARAGAMAN TUMBUHAN BERKHASIAT OBAT DI TAMAN NASIONAL KUTAI, KALIMANTAN TIMUR. Jurnal Analisis Kebijakan Kehutanan, 2, 115–128. https://doi.org/10.20886/jakk.2005.2.2.115-128
4. Zhou, X.-M., Liu, H.-X., Chen, S., Ju, X.-C., Tan, H.-B., Qiu, S.-X., & Zheng, C. (2016). Chemical constituents from leaves of Rhodomyrtus tomentosa. 47, 2614–2620. https://doi.org/10.7501/j.issn.0253-2670.2016.15.006
5. Morris, G. M., Ruth, H., Lindstrom, W., Sanner, M. F. Belew, R. K., Goodsell, D. S., & Olson, A. J. (2009). Software news and updates AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility. Journal of Computational Chemistry, 30(16), 2785–2791. https://doi.org/10.1002/jcc.21256
6. ChemAxon. (2016). ChemAxon - Software Solutions and Services for Chemistry and Biology. MarvinSketch, Version 16.10.31. https://chemaxon.com/
7. Kern, D. M., Sorum, B., Hoel, C. M., Sridharan, S., Remis, J. P., Toso, D. B., & Brohawn, S. G. (2020). Cryo-EM structure of the SARS-CoV-2 3a ion channel in lipid nanodiscs. In bioRxiv : the preprint server for biology. https://doi.org/10.1101/2020.06.17.156554
8. Jiménez, J., Doerr, S., Martínez-Rosell, G., Rose, A. S., & De Fabritiis, G. (2017). DeepSite: protein-binding site predictor using 3D-convolutional neural networks. Bioinformatics, 33(19), 3036–3042. https://doi.org/10.1093/bioinformatics/btx350
9. 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). We are IntechOpen , the world ’ s leading publisher of Open Access books Built by scientists , for scientists TOP 1 %. Intech, 32(tourism), 137–144. https://www.intechopen.com/books/advanced-biometric-technologies/liveness-detection-in-biometrics
10. Saputri, K. E., 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. https://doi.org/10.24198/cna.v4.n1.10443
11. Discovery Studio Visualizer Software, Version 4. (2012). http://www.accelrys.com

Downloads

Published

2021-02-15

How to Cite

Hadi, S. (2021). Skrining Senyawa dari Tanaman Rhodomyrtus tomentosa (Aiton) Hassk terhadap SARS-CoV-2 ORF3a: Screening af Compounds from Plant Rhodomyrtus tomentosa (Aiton) Hassk against SARS-CoV-2 ORF3a. Jurnal Surya Medika (JSM), 6(2), 162–166. https://doi.org/10.33084/jsm.v6i2.2134