In Silico Study of The Active Compound of The Sambiloto Plant (Andrographis paniculata Ness.) on HIV-1 Protease Receptors

Rosario Trijuliamos Manalu; Tiah Rachmatiah; Tri Maratuzzakiyah

doi:10.55927/eajmr.v1i6.601

Authors

Rosario Trijuliamos Manalu Faculty of Pharmacy, National Institute of Science and Technology, Jakarta
Tiah Rachmatiah Faculty of Pharmacy, National Institute of Science and Technology, Jakarta
Tri Maratuzzakiyah Faculty of Pharmacy, National Institute of Science and Technology, Jakarta

DOI:

https://doi.org/10.55927/eajmr.v1i6.601

Keywords:

HIV-1, Insilico, Protease HIV-1, Andrographis paniculata Ness.

Abstract

Human Immunodeficiency Virus (HIV) is a virus that attacks the immune system. Sambiloto (Andrographis Paniculata Ness) is a medicinal plant that has some active coumpunds and is used to prevent and treat some diseases. The purpose of this study was to determine candidate active compounds from sambiloto plant that able to inhibit the work of HIV-1 protease enzyme using the Insilico method. The data of chemical compound of sambiloto was obtained from pubchem site and the structure of HIV-1 protease receptor got from Protein Data Bank with the code PDB 1D4H. The molecular docking results showed bisandrographolide and phytol have potential as anti-HIV drugs compared to amprenavir as a comparison ligand.

References

Anonim. (2020). Infodatin HIV AIDS. Kemenkes, 1–12.

Chander, S., Tang, C. R., Al-Maqtari, H. M., Jamalis, J., Penta, A., Hadda, T. Ben, Sirat, H. M., Zheng, Y. T., &

Sankaranarayanan, M. (2017). Synthesis and study of anti-HIV-1 RT activity of 5-benzoyl-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one derivatives. Bioorganic Chemistry, 72. https://doi.org/10.1016/j.bioorg.2017.03.013

Churiyah, Pongtuluran, O. B., Rofaani, E., & Tarwadi. (2015). Antiviral and Immunostimulant Activities of Andrographis paniculata. HAYATI Journal of Biosciences, 22(2), 67–72. https://doi.org/10.4308/hjb.22.2.67

Hardjono, S. (2017). Prediksi Sifat Farmakokinetik, Toksisitas dan Aktivitas Sitotoksik Turunan N-Benzoil-N’-(4-fluorofenil)tiourea sebagai Calon Obat Antikanker melalui Pemodelan Molekul. Jurnal Ilmu Kefarmasian Indonesia, 14(2), 246–255.

Hasnaa, N. R., Manalu, R. T., & Subaryanti. (2022). Molecular Docking of Turmeric Active Compounds (Curcuma longa L.) against Main Protease in Covid-19 Disease. East Asian Journal of Multidisciplinary Research, 1(3), 353–364.

Kelutur, F. J., Mustarichie, R., & Umar, A. K. (2020). Virtual Screening Kandungan Senyawa Kipas Laut (Gorgonia mariae) sebagai Anti-Asma. ALCHEMY Jurnal Penelitian Kimia, 16(2), 48. https://doi.org/10.20961/alchemy.16.2.39965.48-59

Manalu, R. T., Meheda, I. O., & Octaviani, C. (2021). Inhibition of HMG-CoA Reductase Activity from Active Compounds of Ginger (Zingiber officinale): In-Silico Study. Jurnal Farmasi Etam (JFE), 1(1), 32–38.

Manalu, R. T., Safitri, H., Sari, H. P., Devina, R., Irnawati, I., & Liliwana, E. A. (2021). Analisis In-Silico Penghambatan Main Protease (Mpro) Pada Sars-Cov-2 Oleh Senyawa Aktif Teh Hijau (Camelia sinensis). Jurnal Farmagazine, 8(2), 1–7.

Pires, D. E. V., Blundell, T. L., & Ascher, D. B. (2015). pkCSM: Predicting small-molecule pharmacokinetic and toxicity properties using graph-based signatures. Journal of Medicinal Chemistry, 58(9), 4066–4072. https://doi.org/10.1021/acs.jmedchem.5b00104

Suhadi, A., Rizarullah, R., & Feriyani, F. (2019). Simulasi Docking Senyawa Aktif Daun Binahong Sebagai Inhibitor Enzyme Aldose Reductase. Sel Jurnal Penelitian Kesehatan, 6(2), 55–65. https://doi.org/10.22435/sel.v6i2.1651

Zubair, M. S., Maulana, S., & Mukaddas, A. (2020). Penambatan Molekuler dan Simulasi Dinamika Molekuler Senyawa Dari Genus Nigella Terhadap Penghambatan Aktivitas Enzim Protease HIV-1. Jurnal Farmasi Galenika (Galenika Journal of Pharmacy) (e-Journal), 6(1), 132–140. https://doi.org/10.22487/j24428744.2020.v6.i1.14982