Molecular docking study of Zingiber officinale Roscoe compounds as a mumps virus nucleoprotein inhibitor
Downloads
Background: Mumps virus (MuV) can trigger severe infections, such as parotitis, epididymo-orchitis, and meningitis. The effectiveness of MuV vaccine administration has been proven, but current outbreaks warrant the development of antivirals against MuV. Zingiber officinale var. Roscoe or ginger is often used as an alternative remedy. Currently, there are no known in vitro or in vivo studies that investigate ginger as an MuV antiviral. Purpose: This study aims to evaluate the antiviral potency of the bioactive compounds in Zingiber officinale var. Roscoe against MuV. Methods: Antiviral activity screening was conducted by druglikeness analysis, antiviral probability, molecular docking, and molecular dynamic simulation. Results: As an antiviral, 6-shogaol from Zingiber officinale var. Roscoe has potency against MuV. It has a good binding affinity and can establish interactions with the binding domain of the target protein by forming hydrogen, Van der Waals, and alkyl bonds. Conclusion: The complex of 6-shogaol_NP was predicted to be volatile but stable for triggering inhibitory activity. However, these results must be proved by in vivo and in vitro approaches to strengthen the scientific evidence.
Downloads
Zumla A. Mandell, Douglas, and Bennett’s principles and practice of infectious diseases. Lancet Infect Dis. 2010; 10(5): 303–4. doi: https://doi.org/10.1016/S1473-3099(10)70089-X
Matsui Y, Kamiya H, Kamenosono A, Matsui T, Oishi K, Kidokoro M, Sunagawa T. First mumps outbreak in a decade: Measuring impact of mumps among Naïve population—Tokunoshima Island, Japan. Open Forum Infect Dis. 2017; 4(suppl_1): S243–S243. doi: https://doi.org/10.1093/ofid/ofx163.517
Marlow M, Even S, Hoban MT, Moore K, Patel M, Marin M. Universities’ experience with mumps outbreak response and use of a third dose of MMR vaccine. J Am Coll Health. 2021; 69(1): 53–8. doi: https://doi.org/10.1080/07448481.2019.1651730
Rubin S, Eckhaus M, Rennick LJ, Bamford CGG, Duprex WP. Molecular biology, pathogenesis and pathology of mumps virus. J Pathol. 2015; 235(2): 242–52. doi: https://doi.org/10.1002/path.4445
Kaur RJ, Charan J, Dutta S, Sharma P, Bhardwaj P, Sharma P, Lugova H, Krishnapillai A, Islam S, Haque M, Misra S. Favipiravir use in COVID-19: Analysis of suspected adverse drug events reported in the WHO database. Infect Drug Resist. 2020; 13: 4427–38. doi: https://doi.org/10.2147/IDR.S287934
Briggs K, Wang L, Nagashima K, Zengel J, Tripp RA, He B. Regulation of mumps virus replication and transcription by Kinase RPS6KB1. J Virol. 2020; 94(12): e00387-20. doi: https://doi.org/10.1128/JVI.00387-20
Cox R, Green TJ, Purushotham S, Deivanayagam C, Bedwell GJ, Prevelige PE, Luo M. Structural and functional characterization of the mumps virus phosphoprotein. J Virol. 2013; 87(13): 7558–68. doi: https://doi.org/10.1128/JVI.00653-13
Kubota M, Hashiguchi T. Unique tropism and entry mechanism of mumps virus. Viruses. 2021; 13(9): 1746. doi: https://doi.org/10.3390/v13091746
Mao Q-Q, Xu X-Y, Cao S-Y, Gan R-Y, Corke H, Beta T, Li H-B. Bioactive compounds and bioactivities of ginger (Zingiber officinale Roscoe). Foods (Basel, Switzerland). 2019; 8(6): 185. doi: https://doi.org/10.3390/foods8060185
Dibha AF, Wahyuningsih S, Kharisma VD, Ansori ANM, Widyananda MH, Parikesit AA, Rebezov M, Matrosova Y, Artyukhova S, Kenijz N, Kiseleva M, Jakhmola V, Zainul R. Biological activity of kencur (Kaempferia galanga L.) against SARS-CoV-2 main protease. Int J Health Sci (Qassim). 2022; 6(S1): 468–80. doi: https://doi.org/10.53730/ijhs.v6nS1.4779
Kaushik S, Jangra G, Kundu V, Yadav JP, Kaushik S. Anti-viral activity of Zingiber officinale (Ginger) ingredients against the Chikungunya virus. VirusDisease. 2020; 31(3): 270–6. doi: https://doi.org/10.1007/s13337-020-00584-0
Banerjee R, Perera L, Tillekeratne LMV. Potential SARS-CoV-2 main protease inhibitors. Drug Discov Today. 2021; 26(3): 804–16. doi: https://doi.org/10.1016/j.drudis.2020.12.005
Ramadhani NF, Nugraha AP, Rahmadhani D, Puspitaningrum MS, Rizqianti Y, Kharisma VD, Noor TNEBTA, Ridwan RD, Ernawati DS, Nugraha AP. Anthocyanin, tartaric acid, ascorbic acid of roselle flower (Hibiscus sabdariffa L.) for immunomodulatory adjuvant therapy in oral manifestation coronavirus disease-19: An immunoinformatic approach. J Pharm Pharmacogn Res. 2022; 10(3): 418–28. doi: https://doi.org/10.56499/jppres21.1316_10.3.418
Wijaya RM, Hafidzhah MA, Kharisma VD, Ansori ANM, Parikesit AA. Covid-19 in silico drug with zingiber officinale natural product compound library targeting the mpro protein. Makara J Sci. 2021; 25(3): 162–71. doi: https://doi.org/10.7454/mss.v25i3.1244
Luqman A, Kharisma VD, Ruiz RA, Götz F. In silico and in vitro study of trace amines (TA) and dopamine (DOP) interaction with human alpha 1-adrenergic receptor and the bacterial adrenergic receptor QseC. Cell Physiol Biochem. 2020; 54(5): 888–98. doi: https://doi.org/10.33594/000000276
Proboningrat A, Kharisma VD, Muhammad Ansori AN, Rahmawati R, Fadholly A, Ann Villar Posa G, Sudjarwo SA, Abdul Rantam F, Budianto Achmad A. In silico study of matural inhibitors for human papillomavirus-18 E6 protein. Res J Pharm Technol. 2022; 15(3): 1251–6. doi: https://doi.org/10.52711/0974-360X.2022.00209
Husen SA, Ansori ANM, Hayaza S, Susilo RJK, Zuraidah AA, Winarni D, Punnapayak H, Darmanto W. Therapeutic effect of okra ( Abelmoschus esculentus Moench) pods extract on Streptozotocin-induced type-2 diabetic mice. Res J Pharm Technol. 2019; 12(8): 3703. doi: https://doi.org/10.5958/0974-360X.2019.00633.4
Nugraha AP, Rahmadhani D, Puspitaningrum MS, Rizqianti Y, Kharisma VD, Ernawati DS. Molecular docking of anthocyanins and ternatin in Clitoria ternatea as coronavirus disease oral manifestation therapy. J Adv Pharm Technol Res. 2021; 12(4): 362–7. doi: https://doi.org/10.4103/japtr.japtr_126_21
Susanto H, Kharisma VD, Listyorini D, Taufiq A, Sunaryono, Aulanni A. Effectivity of black tea polyphenol in adipogenesis related IGF-1 and its receptor pathway through in silico based study. J Phys Conf Ser. 2018; 1093: 012037. doi: https://doi.org/10.1088/1742-6596/1093/1/012037
Ansori A, Kharisma V, Parikesit A, Dian F, Rebezov M, Scherbakov P, Burkov P, Zhdanova G, Mikhalev A, Antonius Y, Pratama M, Sumantri N, Sucipto T, Zainul R. Bioactive compounds from mangosteen (Garcinia mangostana L.) as an antiviral agent via dual inhibitor mechanism against SARSCoV- 2: An in silico approach. Pharmacogn J. 2022; 14(1): 85–90. doi: https://doi.org/10.5530/pj.2022.14.12
Cabrera N, Cuesta SA, Mora JR, Calle L, Márquez EA, Kaunas R, Paz JL. In silico searching for alternative lead compounds to treat type 2 diabetes through a QSAR and molecular dynamics study. Pharmaceutics. 2022; 14(2): 232. doi: https://doi.org/10.3390/pharmaceutics14020232
Prahasanti C, Nugraha AP, Kharisma VD, Ansori ANM, Ridwan RD, Putri TPS, Ramadhani NF, Narmada IB, Ardani IGAW, Noor TNEBA. A bioinformatic approach of hydroxyapatite and polymethylmethacrylate composite exploration as dental implant biomaterial. J Pharm Pharmacogn Res. 2021; 9(5): 746–54. pdf: https://jppres.com/jppres/pdf/vol9/jppres21.1078_9.5.746.pdf
Hartati FK, Djauhari AB, Viol Dhea K. Evaluation of pharmacokinetic properties, toxicity, and bioactive cytotoxic activity of black rice (Oryza sativa L.) as candidates for diabetes mellitus drugs by in silico. Biointerface Res Appl Chem. 2021; 11(4): 12301–11. doi: https://doi.org/10.33263/BRIAC114.1230112311
Kharisma VD, Ansori ANM, Fadholly A, Sucipto TH. Molecular mechanism of caffeine-aspirin interaction in kopi balur 1 as anti-inflammatory agent: a computational study. Indian J Forensic Med Toxicol. 2020; 14(4): 4040–6. doi: https://doi.org/10.37506/ijfmt.v14i4.12274
Copyright (c) 2023 Dental Journal (Majalah Kedokteran Gigi)
This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.
- Every manuscript submitted to must observe the policy and terms set by the Dental Journal (Majalah Kedokteran Gigi).
- Publication rights to manuscript content published by the Dental Journal (Majalah Kedokteran Gigi) is owned by the journal with the consent and approval of the author(s) concerned.
- Full texts of electronically published manuscripts can be accessed free of charge and used according to the license shown below.
- The Dental Journal (Majalah Kedokteran Gigi) is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License
