Vol.66, No.1, 2021, pp.707-714, doi:10.32604/cmc.2020.012976
Potential Inhibitory Effect of Vitamins Against COVID-19
  • Kashaf Junaid1,*, Sumera Qasim2, Humaira Yasmeen3, Hasan Ejaz1, Abdullah Alsrhani1, Muhammad Ikram Ullah1, Fahad Ahmad4, Abdul Rehman5
1 Department of Clinical Laboratory Sciences, College of Applied Medical Sciences, Jouf University, Sakaka, Al Jouf, Saudi Arabia
2 College of Pharmacy, Jouf University, Sakaka, Al Jouf, Saudi Arabia
3 Department of Microbiology and Molecular Genetics, The Women’s University, Multan, Pakistan
4 Department of Computer Sciences, Kinnaird College for Women, Lahore, Pakistan
5 Department of Microbiology and Molecular Genetics, University of the Punjab, Lahore, Pakistan
* Corresponding Authors: Kashaf Junaid. Email: kjunaid@ju.edu.sa; kashaf_junaid@hotmail.com
(This article belongs to this Special Issue: Mathematical aspects of the Coronavirus Disease 2019 (COVID-19): Analysis and Control)
Received 20 July 2020; Accepted 11 September 2020; Issue published 30 October 2020
Coronavirus disease 2019 (COVID-19) is a current pandemic that has affected more than 195 countries worldwide. In this severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) pandemic, when treatment strategies are not yet clear and vaccines are not available, vitamins are an excellent choice to protect against this viral infection. The rationale behind this study was to examine the inhibitory effect of vitamins B, C, and D against the main protease of SARSCoV-2 and angiotensin-converting enzyme 2 (ACE2), which have critical rolesin the immune system. Molecular docking, performed by using MOE-Dock of the Chemical Computing Group, was used to understand the mechanism. The vitamins all docked within the active sites of the Mpro (PDB ID:6LU7) and ACE2 receptor proteins (PDB ID:6VW1). Vitamins B and C delivered maximum energy scores against both targets, while vitamin D displayed a binding energy score of −7.9532 kcal/mol for Mpro and −7.9297 for ACE2. The efficiency of all three vitamins is higher than the binding energy score of chloroquine (−6.889 kcal/mol), which is now under clinical trials. The use of vitamins is beneficial, being immune system restorative, and they also act as anti-COVID agents. Although the potential beneficial effects of vitamin B and C are revealed through docking studies, further clinical trials are required for the validation of these results.
SARS-CoV-2; vitamins; docking; antivirals; chemical computing
Cite This Article
K. Junaid, S. Qasim, H. Yasmeen, H. Ejaz, A. Alsrhani et al., "Potential inhibitory effect of vitamins against covid-19," Computers, Materials & Continua, vol. 66, no.1, pp. 707–714, 2021.
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