Potential of Quercetin Compound from Guava Leaves  (Psidium guajava L.) as a Inhibitor COVID-19

Rani Sengka; Andi Badli Rompegading; Rizal Irfandi; Muhammad Nur; Muhammad Arafah; Ahmad Yani

doi:10.24198/ijpst.v11i3.49666

Potential of Quercetin Compound from Guava Leaves (Psidium guajava L.) as a Inhibitor COVID-19

Rani Sengka, Andi Badli Rompegading, Rizal Irfandi, Muhammad Nur, Muhammad Arafah, Ahmad Yani

Abstrak

This research is a computer-based experimental study using the molecular docking method of quercetin compounds in the leaves of the guava plant (Psidium guajava L.) against the target protein (receptor), namely Mpro SARS-CoV-2 (PDB ID: 6M2N) using various softwares. consists of Chem Draw Ultra version 7.0, Marvin Sketch, PLANTS, Yasara, Discovery Studio Visualizer 2021, and pkCSM online tool and, protox online tool. This study aims to find out how the potential of the quercetin compound from the leaves of the guava plant (Psidium guajava L.) has on its ability to inhibit the spread of Covid-19 by molecular docking. Data analysis in this study was carried out based on data obtained from the analysis of pharmacokinetic profiles, physicochemical properties, molecular docking, and predictions of toxicity to compounds that have potential as drug ingredients. Based on the results of molecular docking, it was shown that the quercetin compound has the potential to act as an inhibitor of the Mpro receptor (PDB ID: 6M2N) as evidenced by the docking score obtained which is smaller than the docking score obtained by the original ligand of the target receptor.

Teks Lengkap:

PDF (English)

Referensi

Prasetiawati R, Suherman M, Permana B, Rahmawati R. Molecular Docking Study of Anthocyanidin Compounds Against Epidermal Growth Factor Receptor (EGFR) as Anti-Lung Cancer. Indones J Pharm Sci Technol. 2021;8(1):8.

Yu W-B, Tang G-D, Zhang L, T. Corlett R. Decoding the evolution and transmissions of the novel pneumonia coronavirus (SARS-CoV-2 / HCoV-19) using whole genomic data. Zool Res [Internet]. 2020;41(3):247–57. Available from: http://www.zoores.ac.cn/en/article/doi/10.24272/j.issn.2095-8137.2020.022

Wahyuhadi J, Efendi F, Al Farabi MJ, Harymawan I, Ariana AD, Arifin H, et al. Association of stigma with mental health and quality of life among Indonesian COVID-19 survivors. Ayana DA, editor. PLoS One [Internet]. 2022 Feb 23;17(2):e0264218. Available from: https://dx.plos.org/10.1371/journal.pone.0264218

Sriwilaijaroen N, Fukumoto S, Kumagai K, Hiramatsu H, Odagiri T, Tashiro M, et al. Antiviral effects of Psidium guajava Linn. (guava) tea on the growth of clinical isolated H1N1 viruses: Its role in viral hemagglutination and neuraminidase inhibition. Antiviral Res [Internet]. 2012 May;94(2):139–46. Available from: https://linkinghub.elsevier.com/retrieve/pii/S0166354212000563

Chollom. Phytochemical Analysis and Antiviral Potential of Aqueous Leaf Extract of Psidium guajava Against Newcastle Disease Virus in ovo. J Appl Pharm Sci [Internet]. 2012 Oct 28; Available from: http://www.japsonline.com/abstract.php?article_id=664

Arora R, Chawla R, Marwah R, Arora P, Sharma RK, Kaushik V, et al. Potential of Complementary and Alternative Medicine in Preventive Management of Novel H1N1 Flu (Swine Flu) Pandemic: Thwarting Potential Disasters in the Bud. Evidence-Based Complement Altern Med [Internet]. 2011 Jan 13;2011(1). Available from: https://onlinelibrary.wiley.com/doi/10.1155/2011/586506

Ben-Shabat S, Yarmolinsky L, Porat D, Dahan A. Antiviral effect of phytochemicals from medicinal plants: Applications and drug delivery strategies. Drug Deliv Transl Res [Internet]. 2020 Apr 1;10(2):354–67. Available from: http://link.springer.com/10.1007/s13346-019-00691-6

Irfandi R, Ruslang R, Raya I, Yani A, Nasir M, Nurcaya N, et al. Docking Molecular dari Kompleks Zn(II)Amina (Prolin)dithiokarbamat terhadap Reseptor Estrogen-α. Al-Kimia. 2021;9(2):182–7.

Irfandi R, Raya I, Ahmad A, Fudholi A, Riswandi, Santi S, et al. Design anticancer potential of Zn(II)isoleucinedithiocarbamate complex on MCF-7 cell lines: synthesis, characterization, molecular docking, molecular dynamic, ADMET, and in-vitro studies. Mol Divers [Internet]. 2023 Oct 27; Available from: https://link.springer.com/10.1007/s11030-023-10747-y

Irfandi R, Raya I, Ahmad A, Fudholi A, Santi S, Puspa Azalea W, et al. Anticancer potential of Cu(II)prolinedithiocarbamate complex: design, synthesis, spectroscopy, molecular docking, molecular dynamic, ADMET, and in-vitro studies. J Biomol Struct Dyn [Internet]. 2023 Jan 23;1–13. Available from: https://www.tandfonline.com/doi/full/10.1080/07391102.2023.2169764

Irfandi R, Riswandi R, Raya I, Ahmad A, Jarre S, Ratih D, et al. A New Complex Design of Fe ( II ) Isoleucine Dithiocarbamate as a Novel Anticancer and Antivirus against SARSCOV-2. 2022;23(Ii):3113–23.

Irfandi R, Santi S, Raya I, Ahmad A, Fudholi A, Sari DRT. Study of New Zn(II)Prolinedithiocarbamate as a Potential Agent for Breast Cancer: Characterization and Molecular Docking. J Mol Struct. 2021;In Press(Pre-Proof).

Abdullah SS, Putra PP, Antasionasti I, Rundengan G, Suoth EJ, Abdullah RPI. Analisis Sifat Fisikokimia, Farmakokinetik dan Toksikologi pada Pericarpium Pala (Myristica fragransa) secara Artificial Intelligence. Chem Prog [Internet]. 2021 Nov 30;14(2):81. Available from: https://ejournal.unsrat.ac.id/index.php/chemprog/article/view/37112

Muttaqin FZ. Studi Molecular Docking, Molecular Dynamic, dan Prediksi Toksisitas Senyawa Turunan Alkaloid Naftiridin Sebagai Inhibitor Protein Kasein Kinase 2-Α pada Kanker Leukemia. Pharmacoscript [Internet]. 2019 Aug 31;2(1):49–64. Available from: https://www.e-journal.unper.ac.id/index.php/PHARMACOSCRIPT/article/view/241

Gogoi N, Chowdhury P, Goswami AK, Das A, Chetia D, Gogoi B. Computational guided identification of a citrus flavonoid as potential inhibitor of SARS-CoV-2 main protease. Mol Divers [Internet]. 2021 Aug 25;25(3):1745–59. Available from: https://link.springer.com/10.1007/s11030-020-10150-x

Petrescu AM, Paunescu V, Ilia G. The antiviral activity and cytotoxicity of 15 natural phenolic compounds with previously demonstrated antifungal activity. J Environ Sci Heal Part B [Internet]. 2019 Jun 3;54(6):498–504. Available from: https://www.tandfonline.com/doi/full/10.1080/03601234.2019.1574176

Vijayakumar BG, Ramesh D, Joji A, Jayachandra prakasan J, Kannan T. In silico pharmacokinetic and molecular docking studies of natural flavonoids and synthetic indole chalcones against essential proteins of SARS-CoV-2. Eur J Pharmacol [Internet]. 2020 Nov;886:173448. Available from: https://linkinghub.elsevier.com/retrieve/pii/S0014299920305409

Syahputra G, Ambarsari L, Sumaryada T. Simulasi Docking Kurkumin Enol, Bisdemetoksikurkumin dan Analognya sebagai Inhibitor Enzim 12-Lipoksigenase. J Biofisika. 2014;10(1):55–67.

Arwansyah A, Ambarsari L, Sumaryada TI. Simulasi Docking Senyawa Kurkumin dan Analognya Sebagai Inhibitor Reseptor Androgen pada Kanker Prostat. Curr Biochem. 2014;1(1):11–9.

Saima Perdani M, Anggi D, Hasibuan K. Analisis Informasi Tanaman Herbal melalui Media Sosial ditengah Masyarakat pada Pandemi Covid-19: Sebuah Tinjauan Literatur. Bencoolen J Pharm. 2021;2021(1):11–25.

Wijayanti AD, Hakim L, Widiyono I, Irianti T. Penentuan Efektifitas Oksitetrasiklin Melalui Parameter Farmakokinetik/farmakodinamik pada Plasma dan Jaringan Ayam Broiler. Veteriner. 2010;11(2):119–25.

Gadaleta D, Vuković K, Toma C, Lavado GJ, Karmaus AL, Mansouri K, et al. SAR and QSAR modeling of a large collection of LD50 rat acute oral toxicity data. J Cheminform [Internet]. 2019 Dec 30;11(1):58. Available from: https://jcheminf.biomedcentral.com/articles/10.1186/s13321-019-0383-2

DOI: https://doi.org/10.24198/ijpst.v11i3.49666