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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

Year 2024, , 277 - 291, 24.03.2024
https://doi.org/10.17798/bitlisfen.1388403

Abstract

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.

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Year 2024, , 277 - 291, 24.03.2024
https://doi.org/10.17798/bitlisfen.1388403

Abstract

References

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  • [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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There are 59 citations in total.

Details

Primary Language English
Subjects Molecular Docking
Journal Section Araştırma Makalesi
Authors

Özkan Fidan 0000-0001-5312-4742

Somdutt Mujwar 0000-0003-4037-5475

Early Pub Date March 21, 2024
Publication Date March 24, 2024
Submission Date November 9, 2023
Acceptance Date February 9, 2024
Published in Issue Year 2024

Cite

IEEE Ö. Fidan and 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, vol. 13, no. 1, pp. 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