Potential Inhibitory Effect of Vitamins Against COVID-19
作者机构：Department of Clinical Laboratory SciencesCollege of Applied Medical SciencesJouf UniversitySakakaAl JoufSaudi Arabia College of PharmacyJouf UniversitySakakaAl JoufSaudi Arabia Department of Microbiology and Molecular GeneticsThe Women’s UniversityMultanPakistan Department of Computer SciencesKinnaird College for WomenLahorePakistan Department of Microbiology and Molecular GeneticsUniversity of the PunjabLahorePakistan
出 版 物：《Computers, Materials & Continua》 (计算机、材料和连续体（英文）)
年 卷 期：2021年第66卷第1期
页 面：707-714页
核心收录：
学科分类：1002[医学-临床医学] 100201[医学-内科学(含：心血管病、血液病、呼吸系病、消化系病、内分泌与代谢病、肾病、风湿病、传染病)] 10[医学]
主 题：SARS-CoV-2 vitamins docking antivirals chemical computing
摘 要：Coronavirus disease 2019(COVID-19)is a current pandemic that has affected more than 195 countries *** 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 *** 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 *** docking,performed by using MOE-Dock of the Chemical Computing Group,was used to understand 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 M^(pro) and−7.9297 for *** efficiency of all three vitamins is higher than the binding energy score of chloroquine(−6.889 kcal/mol),which is now under clinical *** use of vitamins is beneficial,being immune system restorative,and they also act as anti-COVID *** 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.
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