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Current Drug Discovery Technologies


ISSN (Print): 1570-1638
ISSN (Online): 1875-6220

Research Article

In Silico Investigation of the SARS CoV2 Protease with Thymoquinone, the Major Constituent of Nigella Sativa

Author(s): Youness Kadil*, Mohammed Mouhcine and Houda Filali

Volume 18, Issue 4, 2021

Published on: 12 July, 2020

Page: [570 - 573] Pages: 4

DOI: 10.2174/1570163817666200712164406

Price: $65


Introduction: The COVID-19 caused by a new type of coronavirus has emerged from China and led to thousands of deaths globally. Despite many groups engaged in studying the newly emerged virus and searching for the treatment, the understanding of the SARS-CoV2 target ligand interactions represents a key challenge. Several studies are being conducted to identify potential treatment. Alternatively, the results of numerous studies have shown that protease inhibitors can be a genuine leader in research. The antiviral activity and beneficial effect against respiratory disorders of thymoquinone have been largely demonstrated.

Aim: The aim of this study is to evaluate in silico the inhibition of the replication of SARS CoV2 by thymoquinone.

Methods: This is a molecular simulation study using SARS CoV2 protease and thymoquinone structures provided by Protein Data Bank.

Results: The preliminary results have shown that thymoquinone may have inhibitory activities against SARS CoV2 protease.

Conclusion: Furthermore, given the demonstrated results of thymoquinone, we can conclude that it may be considered as an effective or adjuvant treatment for SARS CoV2 infection.

Keywords: SARS cov 2, in silico, thymoquinone, protease, nigella, Nigella sativa, COVID-19.

Graphical Abstract
Dayer M R, Taleb-Gassabi S, Dayer M S. A potent drug against coronavirus infection: Insight from molecular docking study. Arch Clin Infect Dis 2017; 12(4): e13823kl.
Hoffmann M, Kleine-Weber H, Schroeder S, et al. SARS-CoV-2 cell entry depends on ACE2 and TMPRSS2 and is blocked by a clinically proven protease inhibitor. Cell 2020; 181(2): 271-280.e8.
[] [PMID: 32142651]
Bertram S, Heurich A, Lavender H, et al. Influenza and SARS-coronavirus activating proteases TMPRSS2 and HAT are expressed at multiple sites in human respiratory and gastrointestinal tracts. PLoS One 2012; 7(4)e35876
[] [PMID: 22558251]
Salem ML, Hossain MS. Protective effect of black seed oil from Nigella sativa against murine cytomegalovirus infection. Int J Immunopharmacol 2000; 22(9): 729-40.
[] [PMID: 10884593]
Barakat EM, El Wakeel LM, Hagag RS. Effects of Nigella sativa on outcome of hepatitis C in Egypt. World J Gastroenterol 2013; 19(16): 2529-36.
[] [PMID: 23674855]
Baghdadi HB, Al-Mathal EM. Anti-coccidial activity of Nigella sativa L. J Food Agricul Envir 2011; 9: 10-7.
Yamaguchi T, Shinagawa Y, Pollard RB. Relationship between the production of murine cytomegalovirus and interferon in macrophages. J Gen Virol 1988; 69(Pt 12): 2961-71. [129].
[] [PMID: 2462012]
Orange JS, Wang B, Terhorst C, Biron CA. Requirement for natural killer cell-produced interferon gamma in defense against murine cytomegalovirus infection and enhancement of this defense pathway by interleukin 12 administration. J Exp Med 1995; 182(4): 1045-56.
[] [PMID: 7561678]
Forouzanfar F, Bazzaz BS, Hosseinzadeh H. Black cumin (Nigella sativa) and its constituent (thymoquinone): a review on antimicrobial effects. Iran J Basic Med Sci 2014; 17(12): 929-38.
[PMID: 25859296]
Umar S, Munir MT, Subhan S, et al. Protective and antiviral activities of Nigella sativa against avian influenza (H9N2) in turkeys. J Saudi Soc Agric Sci 2016.
Ahmad A, Husain A, Mujeeb M, et al. A review on therapeutic potential of Nigella sativa: A miracle herb. Asian Pac J Trop Biomed 2013; 3(5): 337-52.
[] [PMID: 23646296]
Yimer, Ebrahim Mohammed & Beshir, Kald & Karim, Aman & Rehman, Najeeb-ur & Anwar, Farooq. Nigella sativa L. (Black Cumin): A promising natural remedy for wide range of illnesses. Evid Based Complement Alternat Med 2019; 1-16.
Oyero OG, Toyama M, Mitsuhiro N, et al. Selective inhibition of hepatitis c virus replication by alpha-zam, a nigella sativa seed formulation. African journal of traditional, complementary, and alternative medicines. AJTCAM 2016; 13(6): 144-8.
[] [PMID: 28480371]

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