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Assessing Antiviral Mechanisms of N-acetyl-D-glucosamine, N-acetylcysteine and Acetylsalicylic acid on SARS-CoV-2

Year 2026, Volume: 38 Issue: 1, 10 - 22, 20.03.2026

Ragıp Soner Silme

https://doi.org/10.7240/jeps.1683116
https://izlik.org/JA96UU98ZA

Abstract

The potential antiviral activity of FDA-approved 3 compounds (N-acetyl-D-glucosamine; GlcNAc, N-acetylcysteine; NAC, and Acetylsalicylic acid; ASA) against SARS-CoV-2 was investigated. Molecular docking analysis of these compounds as ligands with the main 22 viral proteins was made to predict their possible interaction. All molecules showed interactions with the viral proteins; the mean binding scores for GlcNAc and ASA were very close (-6.81 kcal/mol and -6.31 kcal/mol, respectively), while NAC designated the lowest value (-4.69 kcal/mol). GlcNAc showed the highest binding energy of -8.80 kcal/mol against both the target proteins RdRp-RTP site (7BV2) and Helicase-ANP binding site (7NN0). Since these 22 proteins, including main protease (Mpro) and Papain-like protease (PLpro), are responsible for replication and various pathogenesis processes, it could be concluded that these FDA-approved commercially available compounds have antiviral properties against SARS-CoV-2, which should be confirmed with further in vivo and clinical trials.

Keywords

bioinformatics ligand molecular docking nCoV repurposing SARS-CoV-2

Ethical Statement

This study utilized bioinformatics tools online. Ethical approval was deemed unnecessary as the research did not involve human or animal subjects, nor did it entail primary cell cultures derived from human or animal subjects.

Thanks

The article is dedicated to patients who lost their lives during COVID-19 pandemic. The author thanks Emine Şeküre Nazlı Arda, Ph.D. and Ömür Baysal, Ph.D. for their comments and suggestions on the manuscript.

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N-asetil-D-glukozamin, N-asetilsistein ve Asetilsalisilik asidin SARS-CoV-2’ye Antiviral Mekanizmalarının Değerlendirilmesi

Year 2026, Volume: 38 Issue: 1, 10 - 22, 20.03.2026

Ragıp Soner Silme

https://doi.org/10.7240/jeps.1683116
https://izlik.org/JA96UU98ZA

Abstract

FDA onaylı 3 bileşiğin (N-asetil-D-glukozamin; GlcNAc, N-asetilsistein; NAC ve Asetilsalisilik asit; ASA) SARS-CoV-2'ye karşı potansiyel antiviral aktivitesi araştırılmıştır. Bu bileşiklerin ligand olarak 22 belli başlı viral proteinle moleküler kenetlenme analizleri yapılarak olası etkileşimleri tahmin edilmiştir. Tüm moleküller viral proteinlerle etkileşim göstermiştir; GlcNAc ve ASA için ortalama bağlanma skorları birbirine çok yakın çıkmıştır (-6.81 kcal/mol ve -6.31 kcal/mol, sırasıyla), NAC ise en düşük değeri göstermiştir (-4.69 kcal/mol). GlcNAc, hedef proteinler olan hem RdRp-RTP bölgesine (7BV2) hem de Helikaz-ANP bağlanma bölgesine (7NN0) -8.80 kcal/mol ile en yüksek bağlanma enerjisini göstermiştir. Bu 22 protein arasında ana proteaz (Mpro) ve Papain-benzeri proteaz (PLpro) gibi replikasyon ve çeşitli patogenez süreçlerinden sorumlu proteinler yer aldığından, bu FDA onaylı ve ticari olarak mevcut bileşiklerin SARS-CoV-2'ye karşı antiviral özelliklere sahip olduğu, ancak bunun daha ileri in vivo ve klinik çalışmalarla doğrulanması gerektiği sonucuna varılmıştır.

Keywords

Biyoenformatik ligand moleküler kenetlenme nCoV yeniden amaçlandırma SARS-CoV-2

Ethical Statement

Bu çalışmada çevrimiçi biyoenformatik araçları kullanılmıştır. Araştırmada insan veya hayvan denekleri kullanılmadığı ve insan veya hayvan deneklerinden elde edilen birincil hücre kültürleri kullanılmadığı için etik onaya gerek duyulmamıştır.

Thanks

Bu makale, COVID-19 pandemisinde hayatını kaybeden hastalara ithaf edilmiştir. Prof. Dr. Emine Şeküre Nazlı Arda ve Prof. Dr. Ömür Baysal'a makaleye ilişkin yorum ve önerileri için teşekkür ederim.

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There are 85 citations in total.

Details

Primary Language English
Subjects Bioinformatics, Modelling and Simulation, Molecular Docking, Bioinformatics and Computational Biology (Other), Infectious Agents, Virology, Bioengineering (Other)
Journal Section Research Article
Authors

Ragıp Soner Silme 0000-0001-6547-3747

Submission Date April 24, 2025
Acceptance Date December 22, 2025
Publication Date March 20, 2026
DOI https://doi.org/10.7240/jeps.1683116
IZ https://izlik.org/JA96UU98ZA
Published in Issue Year 2026 Volume: 38 Issue: 1

Cite

APA Silme, R. S. (2026). Assessing Antiviral Mechanisms of N-acetyl-D-glucosamine, N-acetylcysteine and Acetylsalicylic acid on SARS-CoV-2. International Journal of Advances in Engineering and Pure Sciences, 38(1), 10-22. https://doi.org/10.7240/jeps.1683116
AMA 1.Silme RS. Assessing Antiviral Mechanisms of N-acetyl-D-glucosamine, N-acetylcysteine and Acetylsalicylic acid on SARS-CoV-2. JEPS. 2026;38(1):10-22. doi:10.7240/jeps.1683116
Chicago Silme, Ragıp Soner. 2026. “Assessing Antiviral Mechanisms of N-Acetyl-D-Glucosamine, N-Acetylcysteine and Acetylsalicylic Acid on SARS-CoV-2”. International Journal of Advances in Engineering and Pure Sciences 38 (1): 10-22. https://doi.org/10.7240/jeps.1683116.
EndNote Silme RS (March 1, 2026) Assessing Antiviral Mechanisms of N-acetyl-D-glucosamine, N-acetylcysteine and Acetylsalicylic acid on SARS-CoV-2. International Journal of Advances in Engineering and Pure Sciences 38 1 10–22.
IEEE [1]R. S. Silme, “Assessing Antiviral Mechanisms of N-acetyl-D-glucosamine, N-acetylcysteine and Acetylsalicylic acid on SARS-CoV-2”, JEPS, vol. 38, no. 1, pp. 10–22, Mar. 2026, doi: 10.7240/jeps.1683116.
ISNAD Silme, Ragıp Soner. “Assessing Antiviral Mechanisms of N-Acetyl-D-Glucosamine, N-Acetylcysteine and Acetylsalicylic Acid on SARS-CoV-2”. International Journal of Advances in Engineering and Pure Sciences 38/1 (March 1, 2026): 10-22. https://doi.org/10.7240/jeps.1683116.
JAMA 1.Silme RS. Assessing Antiviral Mechanisms of N-acetyl-D-glucosamine, N-acetylcysteine and Acetylsalicylic acid on SARS-CoV-2. JEPS. 2026;38:10–22.
MLA Silme, Ragıp Soner. “Assessing Antiviral Mechanisms of N-Acetyl-D-Glucosamine, N-Acetylcysteine and Acetylsalicylic Acid on SARS-CoV-2”. International Journal of Advances in Engineering and Pure Sciences, vol. 38, no. 1, Mar. 2026, pp. 10-22, doi:10.7240/jeps.1683116.
Vancouver 1.Ragıp Soner Silme. Assessing Antiviral Mechanisms of N-acetyl-D-glucosamine, N-acetylcysteine and Acetylsalicylic acid on SARS-CoV-2. JEPS. 2026 Mar. 1;38(1):10-22. doi:10.7240/jeps.1683116