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Vitamin D is a New Promising Inhibitor to the Main Protease (Mpro) of COVID-19 by Molecular Docking

Al-Mazaideh et al., Journal of Pharmaceutical Research International, doi:10.9734/jpri/2021/v33i29B31603
May 2021  
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In Silico study showing vitamin D binding with Mpro of SARS-CoV-2. Among the compounds tested, vitamin D had the highest potential interaction in terms of total H-bond, van der Waal, torsional, and desolvation energy. Authors recommend adding vitamin D to COVID-19 treatment protocols.
Al-Mazaideh et al., 26 May 2021, peer-reviewed, 4 authors.
In Silico studies are an important part of preclinical research, however results may be very different in vivo.
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Vitamin D is a New Promising Inhibitor to the Main Protease (Mpro) of COVID-19 by Molecular Docking
Ghassab M Al-Mazaideh, Mohammed H Shalayel, Farhan K Al-Swailmi, Saleem H Aladaileh
Journal of Pharmaceutical Research International, doi:10.9734/jpri/2021/v33i29b31603
In this study, vitamin D has shown greater efficacy of binding with M pro of COVID-19 compared to the recently recommended drugs. The docking study was simulated to streamline interaction effects of Vitamin D, Remdesivir, Chloroquine, Hydroxychloroquine, Aspirin, and Azithromycin complexes with the active site of M pro . Vitamin D is found to have the highest potential interaction in terms of total H-bond, van der Waal, torsional, and desolvation energy which were the lowest among all the selected drugs. The hydroxyl group of vitamin D and the thiol group of M pro cysteine had played a leading role in increasing Vitamin D binding and stability with the M pro pocket by contribution to the inception of three hydrogen bonds. The study recommend that vitamin D can be added to the COVID-19 treatment protocol, which may have the desired effect on viral replication inhibition and decreases mortality.
CONSENT It's not applicable. ETHICAL APPROVAL It's not applicable. COMPETING INTERESTS Authors have declared that no competing interests exist.
References
Baez-Santos, John, Mesecar, The SARS-coronavirus papain-like protease: Structure, function and inhibition by designed antiviral compounds, Antivir. Res
Bikle, Vitamin D metabolism, mechanism of action and clinical applications, Chem. Biol, doi:10.1016/j.chembiol.2013.12.016
Brooijmans, Kuntz, Molecular recognition and docking algorithms, Annual Rev. Biophys. Biomol. Struct
Chauhan, Kalra, Identification of potent COVID-19 main protease (M PRO ) inhibitors from flavonoids, Res. square. Preprint, doi:10.21203/rs.3.rs-34497/v1
Forli, Huey, Pique, Sanner, Goodsell et al., Computational protein-ligand docking and virtual drug screening with the Auto Dock suite, Nat. Protoc, doi:10.1038/nprot.2016.051
Hansdottir, Monick, Vitamin D effects on lung immunity and respiratory diseases, Vitam. Horm
Jin, Du, Xu, Deng, Liu et al., Structure of M pro from SARS-CoV-2 and discovery of its inhibitors, Nature
Joshi, Joshi, Sharma, Mathpal, Pundir et al., In silico screening of natural compounds against COVID-19 by targeting Mpro and ACE2 using molecular docking, Eur. Rev. Med. Pharmacol. Sci
Jung, Akhmetzhanov, Hayashi, Linton, Yang et al., Real-Time Estimation of the Risk of Death from Novel Coronavirus (COVID-19) Infection: Inference Using Exported Cases, J. Clin. Med
Larriba, De Herreros, Muñoz, Vitamin D and the Epithelial to Mesenchymal Transition, Stem Cells Inter, doi:10.1155/2016/6213872
Lybrand, Ligand-protein docking and rational drug design, Curr. Opin. Struct. Biol
Martineau, Jolliffe, Greenberg, Aloia, Bergman et al., Vitamin D supplementation to prevent acute respiratory infections: individual participant data meta-analysis, Health Technol. Assess, doi:10.3310/hta23020
Motiwale, Yadav, Kumar, Kushwaha, Choudhir et al., Finding potent inhibitors for COVID-19 main protease (M pro ): an in silico approach using SARS-CoV-3CL protease inhibitors for combating CORONA, J. Biomol. Struct. Dyn, doi:10.1080/07391102.2020.1829501
Narkhede, Pise, Cheke, Cheke, Shinde, Recognition of Natural Products as Potential Inhibitors of COVID-19 Main Protease (Mpro): In-Silico Evidences, Nat. Prod. Bioprospect, doi:10.1007/s13659-020-00253-1
Pell, Kuang, Viboud, Chowell, Using phenomenological models for forecasting the 2015 Ebola challenge, Epidemics, doi:10.1016/j.epidem.2016.11.002
Rizvi, Shakil, Haneef, A simple click by click protocol to perform docking: Auto Dock 4.2 made easy for nonbioinformaticians, EXCLI J
Roosa, Lee, Kirpich, Rothenberg, Hyman et al., Real-time forecasts of the COVID-19 epidemic in China from February 5th to February 24 th, Infect. Disease Mod
Shalayel, Al-Mazaideh, Aladaileh, Fk, Mg, Vitamin D is a potential inhibitor of COVID-19: In silico molecular docking to the binding site of SARS-CoV-2
Shalayel, Al-Qahtani, Huneif, Vitamin D or flu vaccine-benefits over adverse effects, Br. Biomed Bull
Wang, Cao, Zhang, Yang, Liu et al., Remdesivir and chloroquine effectively inhibit the recently emerged novel coronavirus (2019-nCoV) in vitro, Cell Res
Xu, Baylink, Chen, Reeves, Xiao et al., The importance of vitamin d metabolism as a potential prophylactic, immunoregulatory and neuroprotective treatment for COVID-19, J. Transl. Med, doi:10.1186/s12967-020-02488-5
Yang, Xie, Xue, Yang, Ma et al., Design of wide-spectrum inhibitors targeting coronavirus main proteases, PLoS Biol
Zhang, Lin, Sun, Curth, Drosten et al., Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved αketoamide inhibitors, Science
Zhang, Shen, Yan, Wang, Cheng, Discovery of anti-SARS-CoV-2 agents from commercially available flavor via docking screening, OSF Preprints
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