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In silico virtual screening-based study of nutraceuticals predicts the therapeutic potentials of folic acid and its derivatives against COVID-19

Kumar et al., VirusDisease, doi:10.1007/s13337-020-00643-6 (date from preprint)
May 2020  
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In Silico analysis identifying folic acid and derivates like tetrahydrofolic acid and 5-methyl tetrahydrofolic acid as potentially beneficial for SARS- COV-2.
13 preclinical studies support the efficacy of vitamin B9 for COVID-19:
Vitamin B9 has been identified by the European Food Safety Authority (EFSA) as having sufficient evidence for a causal relationship between intake and optimal immune system function EFSA, Galmés, Galmés (B). Vitamin B9 inhibits SARS-CoV-2 In Silico Chen, Eskandari, Hosseini, Kumar, Moatasim, Pandya, Serseg, Ugurel, Zhang, reduces spike protein binding ability Zhang, binds with the spike protein receptor binding domain for alpha and omicron variants Pennisi, inhibits the SARS-CoV-2 nucleocapsid protein Chen, inhibits 3CLpro and PLpro in enzymatic assays Pennisi, significantly reduces infection for alpha and omicron SARS-CoV-2 pseudoviruses Pennisi, and inhibits ACE2 expression and SARS-CoV-2 infection in a mouse model Zhang.
Study covers vitamin B9 and vitamin C.
Kumar et al., 27 May 2020, peer-reviewed, 3 authors. Contact: manoj.20283@lpu.co.in, vipul2732@gmail.com, sudhakar@devlabwerks.com.
In Silico studies are an important part of preclinical research, however results may be very different in vivo.
This PaperVitamin B9All
In silico virtual screening-based study of nutraceuticals predicts the therapeutic potentials of folic acid and its derivatives against COVID-19
Vipul Kumar, Sudhakar Kancharla, Manoj Kumar
The recent outbreak of the novel coronavirus (SARS-CoV-2) in the Wuhan province of China has taken millions of lives worldwide. In this pandemic situation and absence of known drugs and vaccines against novel coronavirus disease (COVID-19), there is an urgent need for the repurposing of the existing drugs against it. So, here we have examined a safe and cheap alternative against this virus by screening hundreds of nutraceuticals compounds against known therapeutic targets of SARS-COV-2 by molecular docking. The virtual screening results were then analyzed for binding energy and interactive residues and compared with some already known hits in the best binding pose. All these analyses of this study strongly predicted the potential of Folic acid and its derivates like Tetrahydrofolic acid and 5-methyl tetrahydrofolic acid against SARS-COV-2. The strong and stable binding affinity of this water-soluble vitamin and its derivatives against the SARS-COV-2, indicating that they could be valuable drugs against the management of this COVID-19 pandemic. This study could serve as the starting point for further investigation of these molecules through in vitro and in vivo assays.
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Please send us corrections, updates, or comments. c19early involves the extraction of 100,000+ datapoints from thousands of papers. Community updates help ensure high accuracy. Treatments and other interventions are complementary. All practical, effective, and safe means should be used based on risk/benefit analysis. No treatment or intervention is 100% available and effective for all current and future variants. We do not provide medical advice. Before taking any medication, consult a qualified physician who can provide personalized advice and details of risks and benefits based on your medical history and situation. FLCCC and WCH provide treatment protocols.
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