Uji molecular docking dan bioinformatika terhadap meniran (Phyllanthus niruri L.) sebagai antivirus SARS-CoV-2 dan antikanker serviks

Nuha Haifa ARIFIN, Rifki FEBRIANSAH

Abstract


Abstract

     The SARS-CoV-2 virus is a virus that emerged in late 2019 and has yet to find a cure. On the other hand, the incidence of cervical cancer in women continues to increase along with the emergence of cases of COVID-19 caused by SARS-CoV-2. Based on WHO data in 2020 stated that there were 107 per 72,314 cancer patients infected with SARS-CoV-2. Meniran (Phyllanthus niruri L.) is a herbaceous plant in Indonesia that has secondary metabolites derived from the tannin group, such as corilagin. This compound has the potential to be developed as an antiviral and anticancer agent. Thus, the purpose of this study was to determine the potential of corilagin in meniran herbs to act as an antiviral SARS-CoV-2 and cervical anticancer compared to the drug compounds molnupiravir and paclitaxel through the STITCH & STRING bioinformatics in silico test and molecular docking method. The results of the bioinformatics test of corilagin against the SARS-CoV-2 virus showed predictions of high protein binding to AGTR2 and ENPEP with a docking score of -10.9 and -9.9 kcal/mol, respectively. Meanwhile, cervical cancer cells showed the highest predicted protein binding to IL-10 and MAPK3 with a docking score of -10.5 and -10.8 kcal/mol. The docking score of molnupiravir against the COVID-19 virus protein, AGTR2, and ENPEP were -7.4 and -7.2 kcal/mol, respectively. The docking scores of paclitaxel for IL10 and MAPK3 were -8.2 and -8.9 kcal/mol, respectively. These values indicate that the activity of corilagin with proteins AGTR2, ENPEP, IL10, and MAPK3 has stronger affinity energy than the comparison drugs molnupiravir and paclitaxel. Thus, the corilagin compound from the tannin group in meniran (Phyllanthus niruri L.) has the potential to be developed and formulated as a treatment and prevention of SARS-CoV-2 antiviral and cervical anticancer.

[Keywords: corilagin, cervical cancer, Phyllanthus niruri L., SARS-CoV-2] 


Abstrak

      Virus SARS-CoV-2 merupakan virus yang muncul di akhir tahun 2019 dan belum ditemukan pengobatannya. Di sisi lain, terjadinya kasus kanker serviks pada wanita masih terus meningkat beriringan dengan munculnya kasus COVID-19 yang disebabkan oleh SARS-CoV-2. Berdasarkan data studi WHO tahun 2020 menyatakan bahwa terdapat 107 per 72.314 pasien kanker yang terinfeksi SARS-CoV-2. Meniran (Phyllanthus niruri L.) merupakan tanaman herba di Indonesia yang memiliki senyawa metabolit sekunder yang berasal dari golongan tannin seperti corilagin. Senyawa ini memiliki potensi untuk dikembangkan sebagai agen antivirus dan antikanker. Penelitian ini bertujuan untuk mengetahui potensi corilagin yang terkandung pada herba meniran sebagai antivirus SARS-CoV-2 dan antikanker serviks yang dibandingkan dengan senyawa obat molnupiravir dan paclitaxel melalui uji in silico bioinformatika STITCH & STRING serta metode molecular docking. Hasil uji bioinformatika corilagin terhadap virus SARS-CoV-2 menunjukkan prediksi pengikatan protein yang tinggi pada AGTR2 dan ENPEP dengan docking score -10,9 dan -9,9 kcal/mol. Sedangkan pada sel kanker serviks menunjukkan prediksi pengikatan protein tertinggi pada IL-10 dan MAPK3 dengan docking score -10,5 dan -10,8 kcal/mol. Docking score molnupiravir terhadap protein virus Covid-19, AGTR2 dan ENPEP adalah -7,4 dan -7,2 kcal/mol. Docking score paclitaxel terhadap IL10 dan MAPK3 adalah -8,2 dan -8,9 kcal/mol. Nilai tersebut menunjukkan aktivitas corilagin dengan protein AGTR2, ENPEP, IL10, dan MAPK3 memiliki energi afinitas yang lebih kuat dibandingkan senyawa obat pembanding molnupiravir dan paclitaxel. Sehingga, senyawa corilagin dari golongan tannin pada meniran (Phyllanthus niruri L.) memiliki potensi untuk dikembangkan dan diformulasikan sebagai pengobatan serta pencegahan antivirus SARS-CoV-2 dan antikanker serviks.

[Kata kunci:   corilagin, kanker serviks, Phyllanthus niruri L., SARS-CoV-2]


Keywords


corilagin, cervical cancer, Phyllanthus niruri L., SARS-CoV-2

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References


Akishita M, M Horiuchi, H Yamada, L Zhang, G Shirakami, K Tamura, Y Ouchi & VJ Dzau (2000). Inflammation influences vascular remodeling through at2 receptor expression and signaling. Physiol Genomics 2(1), 13-20.

Bai X, R Pan, M Li, X Li & H Zhang (2019). HPLC profile of longan (cv. Shixia) pericarp-sourced phenolics and their antioxidant and cytotoxic effects. Molecules 24(3), 1-9.

Corte LD, F Barra, V Foreste, P Giampaolino, G Evangelisti, S Ferrero & G Bifulco (2020). Advances in paclitaxel combinations for treating cervical cancer. Expert Opinion on Pharmacotherapy 21 (6), 663-677.

Dhama K, S Khan, R Tiwari, S Sircar, S Bhat, YS Malik, KP Singh, W Chaicumpa, DK Bonilla-Aldana & AJ Rodriguez-Morales (2020). Coronavirus disease 2019-COVID-19. American Society for Microbiology 33 (4).

Gross O, O Moerer, M Weber, TB Huber & S Schieithauer (2020). COVID-19- associated nephritis: early warning for disease severity and complications? Lancet 395(10236), e87–e88.

Guo L, K Yu, D Li, H Yang, L Liu, J Fan, N Sun & X Yang (2020). Potential pathogenesis of multiple organ injury in COVID-19. Preprints.

Gupta A, AK Singh, R Kumar, R Ganguly, HK Rama, PK Pandey, G Sethi, A Bishayee & AK Pandey (2019). Corilagin in cancer: a critical evaluation of anticancer activities and molecular mechanisms. Molecules 24(18), 1-19.

He F, Y Deng & W Li (2020). Coronavirus disease 2019: what we know? Journal of Medical Virology 92, 719-725.

Irawan H & IW Sudarsa (2020). Penanganan pasien kanker dan risiko infeksi selama wabah COVID-19. Jurnal Bedah Nasional 4(1), 15-18.

Jin F, D Cheng, JY Tao, SL Zhang, R Pang, YJ Guo, P Ye, JH Dong & L Zhao (2013). Anti-inflammatory and anti-oxidative effects of corilagin in a rat model of acute cholestasis. BMC Enterology 13(79).

Lantika YF, R Rusli & WD Ayu (2017). Kajian pola pengobatan penderita kanker serviks pada pasien rawat inap di instalasi RSUD Abdul Wahab Sjahranie periode 2014-2015. Jurnal Sains dan Kesehatan 1(8), 448-455.

Lipinska L, E Klewicka & M Sojka (2014). The structure, occurrence and biological activity of ellagitannins: a general review. Acta Sci Pol Technol Aliment 3(2), 89-99.

Miyasaki Y, JD Rabenstein, J Rhea, ML Crouch, UM Mocek, PE Kittell, MA Morgan, WS Nichols, MMV Benschoten, WD Hardy & GY Liu (2013). Isolation and characterization of antimicrobial compounds in plant extracts against multidrug-resistant Acinetobacter baumannii. Plos One 8(4).

Oktarina DR, Y Susilawati & E Halimah (2021). The potential of Phyllanthus genus plants as immunomodulatory and inflammatory. Indonesian Journal of Biological Pharmacy 1(2), 47-77.

Owen, CD, P Lukacik, CM Strain-Damerell, A Douangamath, AJ Powell, D Fearon, J Brandao-Neto, AD Crawshaw, D Aragao, M Williams, R Flaig, DR Hall, KE McAuley, M Mazzorana, DI Stuart, F von Delft & MA Walsh (2020). COVID-19 main protease with unliganded active site (2019-ncov, coronavirus disease 2019, SARS-CoV-2). RCSB Protein Data Bank (PDB) ID, 6Y84, 3–7. https://doi.org/10.2210/pdb6Y84

Peng X, F Gong, Y Chen, Y Jiang, J Liu, M Yu, S Zhang, M Wang, G Xiao & H Liao (2014). Autophagy promotes paclitaxel resistance of cervical cancer cells: involvement of warburg effect activated hypoxia-induced factor 1-α-mediated signaling. Cell Death & Disease 5, e1367.

Pourkarim F, S Pourtaghi-Anvarian & H Rezaee (2022). Molnupiravir: a new candidate for COVID-19 treatment. Pharmacol Res Perspect 10(1).

Ramdhani D & SAF Kusuma (2022). Molecular docking method: antibacterial activity of eugenol from clove plant. World Journal of Pharmaceutical Research 11(2), 19-28.

Syahruddin E, A Hudoyo & A Jusuf (2010). Respons dan toleransi pasien adenokarsinoma paru stage III dan IV untuk pemberian kemoterapi dengan rejimen paclitaxel (paxus®) plus carboplatin. Jurnal Respir Indo 30(2), 105-111.

Tan L, Q Wang, D Zhang, J Ding, Q Huang, YQ Tang, Q Wang & H Miao (2020). Correction: lymphopenia predicts disease severity of COVID‐19: a descriptive and predictive study. Signal Transduct Target Ther 5, 61.

Tang YY, XM He, Sun J, C Li, L Li, JF Sheng, M Xin, ZC Li, FJ Zheng, GM Liu, JM Li, DN Ling (2019). Polyphenols and alkaloids in byproducts of longan fruits (Dimocarpus Longan Lour.) and their bioactivities. Molecules 24 (6).

Tong Y, G Zhang, Y Li, J Xu, J Yuan, B Zhang, T Hu & G Song (2018). Corilagin inhibits breast cancer growth via reactive oxygen species‐dependent apoptosis and autophagy. Journal of Cellular and Molecular Medicine 22(8), 3795-3807.

Tunas IK, SC Yowani, PA Indrayathi, R Noviyani & IN Budiana (2016). Penilaian kualitas hidup pasien kanker serviks dengan kemoterapi paklitaksel-karboplatin di RSUD Sanglah. Jurnal Farmasi Klinik Indonesia 5(1), 35-46.

Xu H, L Zhong, J Deng, J Peng, H Dan, X Zeng, T Li & Q Chen (2020). High expression of ACE2 receptor of 2019‐Ncov on the epithelial cells of oral mucosa. Int J Oral Sci 12(8).

Yang MH, Y Vasquez, Z Ali, IA Khan & IS Khan (2013). Constituents from terminalia species increase PPARα and PPARγ levels and stimulate glucose uptake without enhancing adipocyte differentiation. J Ethnopharmacol 149 (2).

Zhang H, GW Han, A Batyuk, A Ischenko, KL White, N Patel, A Sadybekov, B Zamlynny, MY Rudd, K Hollenstein, A Tolstikova, TA White, MS Hunter, U Weierstall, W Liu, K Baboglu, EL Moore, RD Katz, JM Shipman, MG Calvo, S Sharma, P Sheth, SM Soisson, RC Stevens, V Katritch & V Cherezov (2017). Structural basis for selectivity and diversity in Angiotensin II receptors. Nature 544, 327-332.

Zheng ZZ, LH Chen, SS Liu, Y Deng, GH Zheng, Y Gu & YL Ming (2016). Bioguided fraction and isolation of the antitumor components from Phyllanthus niruri L. Biomed Res Int, 1-7.




DOI: http://dx.doi.org/10.22302/iribb.jur.mp.v90i1.477

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