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In silico Evaluation of the Potential of Natural Products from Chili Pepper as Antiviral Agents Against Dna-Directed Rna Polymerase of the Monkeypox Virus

Yıl 2024, Cilt: 13 Sayı: 1, 277 - 291, 24.03.2024
https://doi.org/10.17798/bitlisfen.1388403

Öz

This study focused on the discovery of new drug candidates effective against the monkeypox virus. Virtual screening was performed to evaluate the potential of chili pepper natural products against homology-modeled DNA-directed RNA polymerase of the monkeypox virus using molecular docking. Our findings revealed that structurally similar triterpenes such as α-amyrin, β-amyrin, and β-sitosterol had strong binding affinities towards the DNA-directed RNA polymerase and can inhibit this pivotal viral enzyme. The stability of one of the drug candidate molecules, α-amyrin with the strongest binding affinity towards the binding cavity of the enzyme was also confirmed via molecular dynamics simulation. This study showed that α-amyrin is a promising DNA-directed RNA polymerase inhibitor to treat monkeypox disease. It also paves the way for the idea of the potential dietary supplement candidate for monkeypox patients.

Kaynakça

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Yıl 2024, Cilt: 13 Sayı: 1, 277 - 291, 24.03.2024
https://doi.org/10.17798/bitlisfen.1388403

Öz

Kaynakça

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  • [17] J. G. Rizk, G. Lippi, B. M. Henry, D. N. Forthal, and Y. Rizk, “Prevention and Treatment of Monkeypox.,” Drugs, vol. 82, no. 9, pp. 957–963, Jun. 2022, doi: 10.1007/S40265-022-01742-Y.
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  • [19] A. Wesołowska, D. J.-A. S. Pol., U. Hortorum, and U. 2011, “Chemical composition of the pepper fruit extracts of hot cultivars Capsicum annuum L,” Acta Sci. Pol., Hortorum Cultus, vol. 10, no. 1, pp. 171–184, 2011, Accessed: Jul. 26, 2022. [Online]. Available: https://czasopisma.up.lublin.pl/index.php/asphc/article/view/3190.
  • [20] S. E. Altmann et al., “Inhibition of cowpox virus and monkeypox virus infection by mitoxantrone,” Antiviral Res., vol. 93, no. 2, pp. 305–308, Feb. 2012, doi: 10.1016/J.ANTIVIRAL.2011.12.001.
  • [21] J. Deval, J. A. Symons, and L. Beigelman, “Inhibition of viral RNA polymerases by nucleoside and nucleotide analogs: therapeutic applications against positive-strand RNA viruses beyond hepatitis C virus,” Curr. Opin. Virol., vol. 9, p. 1, 2014, doi: 10.1016/J.COVIRO.2014.08.004.
  • [22] S. Mujwar, L. Sun, and O. Fidan, “In silico evaluation of food-derived carotenoids against SARS-CoV-2 drug targets: Crocin is a promising dietary supplement candidate for COVID-19,” J. Food Biochem., p. e14219, 2022, doi: 10.1111/JFBC.14219.
  • [23] Y. Furuta, B. B. Gowen, K. Takahashi, K. Shiraki, D. F. Smee, and D. L. Barnard, “Favipiravir (T-705), a novel viral RNA polymerase inhibitor,” Antiviral Res., vol. 100, no. 2, pp. 446–454, Nov. 2013, doi: 10.1016/J.ANTIVIRAL.2013.09.015.
  • [24] N. Rahmattullah, E. Laras Arumingtyas, M. Hermawan Widyananda, A. N. Ahyar, and I. Tabroni, “Bioinformatics Analysis of Bioactive Compounds of Four Capsicum Species against SARS-CoV-2 Infection,” Int. J. Adv. Biol. Biomed. Res., vol. 9, no. 4, pp. 298–319, 2021, doi: 10.22034/ijabbr.2021.139183.1335.
  • [25] N. Ordaz-Trinidad, L. Dorantes-Álvarez, J. Salas-Benito, B. L. Barrón-Romero, M. Salas-Benito, and M. De Nova-Ocampo, “Cytotoxicity and antiviral activity of pepper extracts (Capsicum spp),” Polibotánica, vol. 0, no. 46, Jul. 2018, doi: 10.18387/POLIBOTANICA.46.18.
  • [26] K. Tang, X. Zhang, and Y. Guo, “Identification of the dietary supplement capsaicin as an inhibitor of Lassa virus entry,” Acta Pharm. Sin. B, vol. 10, no. 5, pp. 789–798, May 2020, doi: 10.1016/J.APSB.2020.02.014.
  • [27] T. A. Hafiz, M. A. Mubaraki, M. A. Dkhil, and S. Al-Quraishy, “Antiviral Activities of Capsicum annuum Methanolic Extract against Herpes Simplex Virus 1 and 2,” Pak. J. Zool., vol. 49, no. 1, pp. 251–255, Jan. 2017, doi: 10.17582/JOURNAL.PJZ/2017.49.1.251.255.
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  • [38] R. Jain and S. Mujwar, “Repurposing metocurine as main protease inhibitor to develop novel antiviral therapy for COVID-19,” Struct. Chem., pp. 1–13, 2020, doi: https://doi.org/10.1007/s11224-020-01605-w.
  • [39] S. Mujwar, “Computational repurposing of tamibarotene against triple mutant variant of SARS-CoV-2,” Comput Biol Med, vol. 136, p. 104748, 2021, doi: https://doi.org/10.1016/j.compbiomed.2021.104748.
  • [40] K. Shah, S. Mujwar, G. Krishna, and J. K. Gupta, “Computational Design and Biological Depiction of Novel Naproxen Derivative,” https://home.liebertpub.com/adt, vol. 18, no. 7, pp. 308–317, Oct. 2020, doi: 10.1089/ADT.2020.977.
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Toplam 59 adet kaynakça vardır.

Ayrıntılar

Birincil Dil İngilizce
Konular Moleküler Yerleştirme
Bölüm Araştırma Makalesi
Yazarlar

Özkan Fidan 0000-0001-5312-4742

Somdutt Mujwar 0000-0003-4037-5475

Erken Görünüm Tarihi 21 Mart 2024
Yayımlanma Tarihi 24 Mart 2024
Gönderilme Tarihi 9 Kasım 2023
Kabul Tarihi 9 Şubat 2024
Yayımlandığı Sayı Yıl 2024 Cilt: 13 Sayı: 1

Kaynak Göster

IEEE Ö. Fidan ve S. Mujwar, “In silico Evaluation of the Potential of Natural Products from Chili Pepper as Antiviral Agents Against Dna-Directed Rna Polymerase of the Monkeypox Virus”, Bitlis Eren Üniversitesi Fen Bilimleri Dergisi, c. 13, sy. 1, ss. 277–291, 2024, doi: 10.17798/bitlisfen.1388403.



Bitlis Eren Üniversitesi
Fen Bilimleri Dergisi Editörlüğü

Bitlis Eren Üniversitesi Lisansüstü Eğitim Enstitüsü        
Beş Minare Mah. Ahmet Eren Bulvarı, Merkez Kampüs, 13000 BİTLİS        
E-posta: fbe@beu.edu.tr