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Prediction of Potential 3CLpro-Targeting Anti-SARS-CoV-2 Compounds from Chinese Medicine - Ning Sun, Wing-Leung Wong & Jiao Guo - PrePrints (15 Mar. 2020):
“The viral 3-chymotrypsin-like cysteine protease (3CLpro), which plays a key role in the replication of coronavirus, is a potential drug target for the development of anti-SARS-CoV-2 drugs. With the crystal structure of 3CLpro, we performed virtual screening from a small chemical library of a Traditional Chinese Medicine recipe- FuFang Zhenzhu Tiaozhi (FTZ). Five compounds with the best scores were screened and could be considered as potential hit compounds to be investigated further with bioassays for their anti-virus effects [including Rutin].”
Identification of Potent COVID-19 Main Protease (Mpro) Inhibitors from Natural Polyphenols: An In Silico Strategy unveils a Hope against CORONA - Sevki Adem, Volkan Eyupoglu, Iqra Sarfraz, Azhar Rasul & Muhammad Ali - PrePrints (23 Mar. 2020):
“According to moldock binding score, the potent flavonoids can be ranked as following by affinity hesperidin > rutin > diosmin > apiin > diacetylcurcumin. All the compounds bearing good binding potency are components of dietary foods that suggest the biologically safe profile of these compounds further supporting the potential of these compounds as starting points for therapeutics against COVID-19.”
An Investigation into the Identification of Potential Inhibitors of SARS-CoV-2 Main Protease using Molecular Docking Study - Sourav Das, Sharat Sarmah, Sona Lyndem & Atanu Singha Roy - Journal of Biomolecular Structure and Dynamics (2 May 2020):
“Here, in this study, we have utilized a blind molecular docking approach to identify the possible inhibitors of the SARS-CoV-2 main protease, by screening a total of 33 molecules which includes natural products, anti-virals, anti-fungals, anti-nematodes and anti-protozoals. All the studied molecules could bind to the active site of the SARS-CoV-2 protease (PDB: 6Y84), out of which rutin (a natural compound) has the highest inhibitor efficiency among the 33 molecules studied, followed by ritonavir (control drug), emetine (anti-protozoal), hesperidin (a natural compound), lopinavir (control drug) and indinavir (anti-viral drug).”
In Silico Exploration of Repurposing and Optimizing Traditional Chinese Medicine Rutin for Possibly Inhibiting SARS-CoV-2's Main Protease - Tien Huynh, Haoran Wang, Wendy Cornell & Binquan Luan - ChemRxiv (11 May 2020):
“It is well known that the main protease (Mpro) of SARS-CoV-2 plays an important role in maturation of many viral proteins such as the RNA-dependent RNA polymerase. Here, we explore the underlying molecular mechanisms of the computationally determined top candidate – rutin, a key component in many traditional antiviral medicines such as Lianhuaqinwen and Shuanghuanlian, for inhibiting the viral target – Mpro. Using in silico methods (docking and molecular dynamics simulations), we revealed the dynamics and energetics of rutin when interacting with the Mpro of SARS-CoV-2, suggesting that the highly hydrophilic rutin molecule can be bound inside the Mpro’ pocket (active site) and possibly inhibit its biological functions.”
Analysis of Therapeutic Targets for SARS-CoV-2 and Disco-very of Potential Drugs by Computational Methods - Canrong Wu, Yang Liu, Yueying Yang, Peng Zhang, Wu Zhong, Yali Wang, Qiqi Wang, Yang Xu, Mingxue Li, Xingzhou Li, Mengzhu Zheng, Lixia Chen & Hua Li - Acta Pharmaceutica Sinica B (May 2020):
“The natural products, such as flavanoids like neohesperidin, hesperidin, baicalin, kaempferol 3-O-rutinoside and rutin from different sources, andrographolide, neoandrographolide and 14-deoxy-11,12-didehydroandrographolide from A. paniculata, and a series of xanthones from the plants of Swertia genus, with anti-virus, anti-bacteria and anti-inflammation activity could effectively interact with these targets of SARS-CoV-2. Therefore, the herbal medicines containing these compounds as major components might be meaningful for the treatment of SARS-CoV-2 infections.”
COVID-19 and Flavonoids: In Silico Molecular Dynamics Docking to the Active Catalytic Site of SARS-CoV and SARS-CoV-2 Main Protease - Leif Peterson - SSRN (19 May 2020) [Rutin is among those “flavonoids investigated with significant binding energies”].
Possible SARS-Coronavirus 2 Inhibitor revealed by Simulated Molecular Docking to Viral Main Protease and Host Toll-like Receptor - Xiaopeng Hu, Xin Cai, Xun Song, Chenyang Li, Jia Zhao, Wenli Luo, Qian Zhang, Ivo Otte Ekumi & Zhendan He - Future Virology (12 Jun. 2020):
“The citrus flavonoid rutin was identified to fit snugly into the Mpro substrate-binding pocket and to present a strong interaction with TLRs TLR2, TLR6 and TLR7. One-carbon metabolic process and nitrogen metabolism ranked high as potential targets toward rutin. Conclusion: Rutin may influence viral functional protein assembly and host inflammatory suppression. Its affinity for Mpro and TLRs render rutin a potential novel therapeutic anti-coronavirus strategy.”
To learn more about Ingredient #22 (Rutin) - and the 51 other dietary ingredients identified as exhibiting anti-viral and/or immune-enhancing properties - obtain a copy of the full report of AVD: The Anti-Viral Diet by pressing the button below:
Vitamin P - A Bentsath & A. Szent-Györgyi - Nature (4 Sep. 1937).
Effects of Rutin and Quercetin on Monooxygenase Activities in Experimental Influenza Virus Infection - V.M. Savov, A.S. Galabov, L.P. Tantcheva, M.M. Mileva, E.L. Pavlova, E.S. Stoeva & A.A. Braykova - Experimental and Toxicologic Pathology: Official Journal of the Gesellschaft fur Toxikologische Pathologie (21 Jun. 2006).
In Vitro Antiviral Activity of Fisetin, Rutin and Naringenin against Dengue Virus Type-2 - Keivan Zandi, Boon-Teong Teoh, Sing-Sin Sam, Pooi-Fong Wong, Mohd Rais Mustafa & Sazaly Abu-Bakar - Journal of Medicinal Plants Research (23 Oct. 2011).
Antiviral Activity of Plant Polyphenols - Anjoo Kamboj, Ajay K. Saluja, Munish Kumar & Pooja Atri - Journal of Pharmacy Research (19 Apr. 2012).
The Pharmacological Potential of Rutin - Aditya Ganeshpurkar & Ajay K. Saluja - Saudi Pharmaceutical Journal (Feb. 2017).
Identification of a Flavonoid isolated from Plum (Prunus Domestica) as a Potent Inhibitor of Hepatitis C Virus Entry - Mihika Bose, Mohini Kamra, Ranajoy Mullick, Santanu Bhattacharya, Saumitra Das & Anjali A. Karande - Scientific Reports (2017):
“Rutin significantly inhibited HCV-LP binding to hepatoma cells and inhibited cell-culture derived HCV (HCVcc) entry into hepatoma cells. Importantly, rutin was found to be non-toxic to hepatoma cells. Furthermore, rutin inhibits the early entry stage of HCV lifecycle possibly by directly acting on the viral particle. In conclusion, rutin is a promising candidate for development of anti-HCV therapeutics in the management of HCV infection.”
Bibliographic Research Information provided courtesy of The Academy of the Third Millennium (A3M) 2020
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Learn how to protect you and your family from viruses more effectively by discovering the 52 'dietary antivirals' to include in your meals, snacks and drinks every day. Boost your immunity and fight diseases the natural way.
An 'Anti-Viral Diet' has been extensively corroborated by science and is gradually being accepted as an integral part of how people may protect themselves against viruses and treat viral illnesses - one other option to make use of alongside vaccines and antiviral medications. However, Food Science does not currently receive even 1% as much financing as pharmaceutical or vaccine-related research. 10% of the profit from sales of the 'AVD' book are being donated towards essential projects in Anti-Viral Dietary Research.
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Edouard d'Araille - Project Lead of Phase 1 of the 'AVD Research Project' - writes about an 'Anti-Viral Diet' that: "Regarding the effects of diet on disease, it is known that healthy, balanced nutrition has greater impact on immunity to viruses than any single vaccine. Science has proven this beyond a shadow of doubt."
'AVD' is a 3-Phase Research Project launched by The Academy of the Third Millennium (A3M). Phase 1 of this scientific inquiry is now complete and a summary of the findings are presented in the volume 'AVD: The Anti-Viral Diet' (2020-2022) available from this website. Information about the progress and purpose of Phases 2 & 3 of this A3M research program will be shared here and at A3M.International.
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