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190296

Antiviral Effect of Curcuminoids and Curcumin Derivatives Against Coronavirus (Sars-Cov-2) Predicted Using Molecular Docking Approach

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Last updated: 22 Jan 2023

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Abstract

SARS-CoV-2 is a newly emerging pandemic circulating worldwide causing millions of infections and many thousands of deaths. There are currently no specific therapies for treating coronavirus infections. Structure and screening results of important targets such as 3-chymotrypsin-like protease (3CLpro) were thoroughly discussed. It is well known that curcumin and turmeric extracts showed prominent anti-inflammatory, antiviral, antibacterial and anti-fungal activities, moreover they showed a positive effect on cytokine storm in many earlier studies. In the present study, with the aid of the molecular docking approach, we identify new possible inhibitors of SARS-CoV-2 using curcuminoids and curcumin derivatives. The identification of the Mpro protease structure in COVID-19 provides a valuable chance to develop potential drug candidates for treatment. Considering the main protease in CoVs (3CLpro) (PDB ID 6LU7) and docking of our molecules in addition to some drugs for comparison purposes were carried out using the Molegro virtual docker.  Curcuminoids and curcumin derivatives docked into 6LU7 active site revealed lower energy scores indicating more favored protein-ligand complexes.  Curcuminoids and five curcumin derivatives showed to have the best potential to act as COVID-19 possible treatment. Further, in vitro and in vivo studies are necessary to examine their medicinal use for the identified molecules against coronavirus infection. 

DOI

10.21608/eajbsc.2021.190296

Keywords

SARS-CoV-2, Antiviral, Curcuminoids and Curcumin Derivatives

Authors

First Name

Yousery

Last Name

Sherif

MiddleName

E.

Affiliation

Clinical Pharmacology Department, Faculty of Medicine, Mansoura University, Mansoura, Egypt.

Email

yousersherif@hotmail.com

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Orcid

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First Name

Alaa

Last Name

Sayed

MiddleName

H.

Affiliation

Hormones Department, Medical Research Division, National Research Centre, Dokki, Giza, Egypt.

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City

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Orcid

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First Name

Mahmoud

Last Name

Lotfy

MiddleName

-

Affiliation

Molecular Biology Department, Genetic engineering and Biotechnology Research Institute, Sadat City University, Sadat City, Minufiya, Egypt

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Orcid

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Volume

13

Article Issue

2

Related Issue

26732

Issue Date

2021-12-01

Receive Date

2021-07-12

Publish Date

2021-12-01

Page Start

47

Page End

62

Print ISSN

2090-0767

Online ISSN

2090-083X

Link

https://eajbsc.journals.ekb.eg/article_190296.html

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https://eajbsc.journals.ekb.eg/service?article_code=190296

Order

4

Type

Original Article

Type Code

673

Publication Type

Journal

Publication Title

Egyptian Academic Journal of Biological Sciences. C, Physiology and Molecular Biology

Publication Link

https://eajbsc.journals.ekb.eg/

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Article

Created At

22 Jan 2023