@Article{cmc.2020.012976,
AUTHOR = {Kashaf Junaid, Sumera Qasim, Humaira Yasmeen, Hasan Ejaz, Abdullah Alsrhani, Muhammad Ikram Ullah, Fahad Ahmad, Abdul Rehman},
TITLE = {Potential Inhibitory Effect of Vitamins Against COVID-19},
JOURNAL = {Computers, Materials \& Continua},
VOLUME = {66},
YEAR = {2021},
NUMBER = {1},
PAGES = {707--714},
URL = {http://www.techscience.com/cmc/v66n1/40475},
ISSN = {1546-2226},
ABSTRACT = {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 M<sup>pro</sup> (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 M<sup>pro</sup> 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.},
DOI = {10.32604/cmc.2020.012976}
}