STUDI IN SILICO SENYAWA AKTIF DARI JAHE (Zingiber officinale) DAN KERSEN (Muntingia calabura L.) SEBAGAI INHIBITOR MAIN PROTEASE (Mpro) DARI SARS-CoV-2

Masdiana Tahir, St. Maryam

Abstract


Coronavirus disease is an infectious disease caused by the SARS-CoV-2 coronavirus, which is an RNA virus consisting of four structural proteins and sixteen non-structural proteins responsible for viral multiplication. One of the proteins is the main protease (Mpro). Inhibition of Mpro is potentially effective as a COVID-19 drug because it will cause the loss of the virus's replication and transcription abilities, so that the virus is unable to survive. The purpose of this study is to determine what chemical compounds in ginger (Zingiber officinale) and kersen (Muntigia calabura) plants have the potential as COVID-19 drugs with the Mpro inhibition mechanism. This research method is in silico using molecular docking method with PyRX software. The results showed that of the 70 chemical compounds from ginger (Zingiber officinale), there are 3 compounds that have potential because they have better activity than the N3 inhibitor comparison ΔG -8.0 kcal/mol, namely Zingiberoside B (-8.6 kcal/mol), Zingiberoside C (-8.5 kcal/mol) and Shogasulfonic acid D (-8.2 kcal/mol). Meanwhile, of the 10 chemical compounds from Jamaica cherry (Muntigia calabura), there are 4 chemical compounds that have potential as Mpro SARS-CoV-2 inhibitors, namely Kempferol 7-(6''-p-coumarylglucoside) or Biondnoid A (-9. 1 kcal/mol), Hiravanone (-8.4 kcal/mol), 5,7,3',4' - Tetrahydroxy - 6, 8 - di - C -prenylflavanone (-8.4 kcal/mol), and Myrtillin (-8.3 kcal/mol).

Keywords


COVID-19; In Silico; Main Protease (Mpro);, Muntigia calabura; Zingibers officinale

References


Sinaga DA. Virus Corona: Hal-Hal Apa Yang Perlu Diketahui. http://www.inaheart.org/perki/upload/files/corona virus - dasdo for kagama.pdf. Diakses April 2023. 2020

Sun J et al. COVID-19: Epidemiology, Evolution, and Cross-Disciplinary Perspectives. Trends Mol Med. 2020; 26(5):483–495

Joshi RS et al. Discovery of Potential Multi-Target-Directed Ligands by Targeting Host-Specific SARS-CoV-2 Structurally Conserved Main Protease. J Biomol Struct Dyn. 2021; 39(9):1–16

Thurakkal L et al. An In-Silico Study on Selected Organosulfur Compounds as Potential Drugs for SARS-CoV-2 Infection via Binding Multiple Drug Targets. Chem Phys Lett.; 763. DOI: 10.1016/J.CPLETT.2020.138193

Purwaniati P, Asnawi A. Target Kerja Obat Covid-19: Review. Jurnal Farmagazine. 2020; 7(2):30–42

Dewi YK, Riyandari BA. Potensi Tanaman Lokal Sebagai Tanaman Obat Dalam Menghambat Penyebaran COVID-19. Jurnal Pharmascience. 2020; 7(2):112–128

Rahmani AH, Al Shabrmi FM, Aly SM. Active Ingredients of Ginger as Potential Candidates in the Prevention and Treatment of Diseases via Modulation of Biological Activities. Int J Physiol Pathophysiol Pharmacol. 2014; 6(2):125–136

Srinivasan K. Ginger Rhizomes (Zingiber officinale): A Spice with Multiple Health Beneficial Potentials. PharmaNutrition. 2017; 5(1):18–28

Puspitasari AD, Wulandari RL. Aktivitas Antioksidan Dan Penetapan Kadar Flavonoid Total Ekstrak Etil Asetat Daun Kersen (Muntingia calabura). Jurnal Pharmascience. 2017; 4(2):167–175

Putri DA, Fatmawati S. Metabolit Sekunder Dari Muntingia calabura Dan Bioaktivitasnya. ALCHEMY Jurnal Penelitian Kimia. 2019; 15(1):57–78

Rachmania RA, Supandi S, Larasati OA. Analisis In-Silico Senyawa Diterpenoid Lakton Herba Sambiloto (Andrographis paniculata Nees) Pada Reseptor Alpha-Glucosidase Sebagai Antidiabetes Tipe II. PHARMACY: Jurnal Farmasi Indonesia (Pharmaceutical Journal of Indonesia). 2015; 12(2):210–222

Ekins S, Mestres J, Testa B. In Silico Pharmacology for Drug Discovery: Methods for Virtual Ligand Screening and Profiling. Br J Pharmacol. 2007; 152(1):9–20

Leach AR, Shoichet BK, Peishoff CE. Prediction of Protein-Ligand Interactions. Docking and Scoring: Successes and Gaps. J Med Chem. 2006; 49(20):5851–5855

INBIO-INDONESIA. ’Bioinformatics Training Eksplorasi Potensi Senyawa Bahan Alam Secara In Silico. Indonesian Institute of Bioinformatics. Universitas Brawijaya. Malang

Syahputra G. Peran Bioinformatika Dalam Desain Kandidat Molekul Obat. Biotrends. 2015; 6(1):26–27

Lu H-M et al. Correlation between Protein Sequence Similarity and X-Ray Diffraction Quality in the Protein Data Bank. Protein Pept Lett. 2009; 16(1):50–55

Ferdian PR et al. Studi In Silico Senyawa Fenolik Madu Sebagai Kandidat Inhibitor Mpro SARS-CoV-2. Media Penelitian dan Pengembangan Kesehatan. 2021; 31(3):213–232

Jin Z et al. Structure of Mpro from SARS-CoV-2 and Discovery of Its Inhibitors. Nature. 2020; 582(7811):289–293

Kartasasmita RE, Herowati R, Harmastuti N, Gusdinar T. Quercetin derivatives docking based on study of flavonoids interaction to cyclooxygenase-2. Indonesian Journal of Chemistry. 2010; 9(2):297–302

Manalu RT et al. Analisis In-Silico Penghambatan Main Protease (Mpro) pada SARS-CoV-2 oleh Senyawa Aktif Teh Hijau (Camelia sinensis). Jurnal Farmagazine. 2021; 8(2):1–7

Rachmania RA, Hariyanti H, Zikriah R, Sultan A. Studi In Silico Senyawa Alkaloid Herba Bakung Putih (Crinum asiaticum L.) Pada Penghambatan Enzim Siklooksigenase (COX). Jurnal Kimia VALENSI. 2018; 4(2):124–136




DOI: https://doi.org/10.56711/jifa.v16i1.1070

Refbacks

  • There are currently no refbacks.


Indexed by:

     

ISSN: 2085-4714 | e-ISSN: 2502-9444

Editor's Address:

Faculty of Pharmacy, Univeristas Muslim Indonesia
2nd Campus of UMI: Jl. Urip Sumoharjo km. 5 , Makassar, South Sulawesi, Indonesia

E-mail: jurnal.farmasi@umi.ac.id

View My Stats