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All Studies   Meta Analysis    Recent:   

Quercetin: A promising drug candidate against the potential SARS-CoV-2-Spike mutants with high viral infectivity

Pan et al., Computational and Structural Biotechnology Journal, doi:10.1016/j.csbj.2023.10.029
Oct 2023  
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Quercetin for COVID-19
22nd treatment shown to reduce risk in July 2021
 
*, now known with p = 0.0031 from 11 studies.
No treatment is 100% effective. Protocols combine complementary and synergistic treatments. * >10% efficacy in meta analysis with ≥3 clinical studies.
4,200+ studies for 70+ treatments. c19early.org
In Silico and In Vitro study of quercetin showing inhibition of SARS-CoV-2 for wildtype and 6 different variants. Molecular docking and dynamics simulation analyses showed that quercetin binds in a cavity at the spike-ACE2 interface, suggesting it may disrupt spike-ACE2 binding. The study tested 6 spike mutants predicted to have high ACE2 affinity. Pseudotyped viruses containing these mutant spikes were pre-treated with quercetin before infecting cells. Quercetin dose-dependently reduced infection with all variants tested.
Bioavailability. Quercetin has low bioavailability and studies typically use advanced formulations to improve bioavailability which may be required to reach therapeutic concentrations.
55 preclinical studies support the efficacy of quercetin for COVID-19:
In Silico studies predict inhibition of SARS-CoV-2, or minimization of side effects, with quercetin or metabolites via binding to the spikeA,28,48,11,31,19,13,27,14,49,30, MproB,9,23,26,31,19,13,27,12,32,50,7,49,25,34,6,4,2,1, RNA-dependent RNA polymeraseC,21, PLproD,26,34, ACE2E,11,26,12,49,30,17, TMPRSS2F,11, helicaseG,23,18, endoribonucleaseH,28, cathepsin LI,15, Wnt-3J,11, FZDK,11, LRP6L,11, ezrinM,29, ADRPN,27, NRP1O,30, EP300P,5, PTGS2Q,12, HSP90AA1R,12,5, matrix metalloproteinase 9S,20, IL-6T,10,24, IL-10U,10, VEGFAV,24, and RELAW,24 proteins. In Vitro studies demonstrate efficacy in Calu-3X,37, A549Y,10, HEK293-ACE2+Z,44, Huh-7AA,14, Caco-2AB,36, Vero E6AC,31,8,36, mTECAD,39, and RAW264.7AE,39 cells. Animal studies demonstrate efficacy in K18-hACE2 miceAF,41, db/db miceAG,39,47, BALB/c miceAH,46, and rats51. Quercetin reduced proinflammatory cytokines and protected lung and kidney tissue against LPS-induced damage in mice46.
Pan et al., 17 Oct 2023, China, peer-reviewed, 6 authors. Contact: liuliren@tmu.edu.cn, limin@mail.csu.edu.cn.
In Vitro studies are an important part of preclinical research, however results may be very different in vivo.
This PaperQuercetinAll
Quercetin: A promising drug candidate against the potential SARS-CoV-2-Spike mutants with high viral infectivity
Boyu Pan, Senbiao Fang, Liangjiao Wang, Zhanyu Pan, Min Li, Liren Liu
Computational and Structural Biotechnology Journal, doi:10.1016/j.csbj.2023.10.029
The emergence of SARS-CoV-2-Spike mutants not only enhances viral infectivity but also lead to treatment failure. Gaining a comprehensive understanding of the molecular binding mode between the mutant SARS-CoV-2-Spike and human ACE2 receptor is crucial for therapeutic development against this virus. Building upon our previous predictions and verifications regarding heightened viral infectivity of six potential SARS-CoV-2-Spike mutants, this study aims to further investigate the potential disruption of the interaction between these mutants and ACE2 by quercetin, a Chinese herbal compound. Molecular docking and dynamics simulations results reveal that the binding sites of quercetin particularly enriched around a specific "cavity" at the interface of Spike/ACE2 complex, indicating a favorable region for quercetin to interfere with Spike/ACE2 interaction. Virus infection assay confirms that quercetin not only attenuates wild-type virus infectivity but also suppresses the infectivity of all six tested SARS-CoV-2-Spike mutants. Therefore, quercetin represents a promising therapeutic candidate against both wild-type and potential future variants of SARS-CoV-2 exhibiting high viral infectivity.
Author contributions Liren Liu and Min Li designed and supervised the study and finalized the manuscript. Boyu Pan, Senbiao Fang, Liangjiao Wang and Zhanyu Pan contributed to the study design, performed the molecular docking & molecular dynamics simulations analyses and biological experiments and drafted the manuscript. All the authors approved the version to be published. Author Statement We the undersigned declare that this manuscript entitled "Quercetin: A promising drug candidate against the potential SARS-CoV-2-Spike mutants with high viral infectivity" is original, has not been published before and is not currently being considered for publication elsewhere. We confirm that the manuscript has been read and approved by all named authors and that there are no other persons who satisfied the criteria for authorship but are not listed. We further confirm that the order of authors listed in the manuscript has been approved by all of us. Conflict of Interest Statement All the authors (Boyu Pan, Senbiao Fang, Liangjiao Wang, Zhanyu Pan, Min Li and Liren Liu) declare that they have no competing interests. Highlights: 1. Quercetin is mainly enriched in the cavity at the binding interface between Spike domain and the human ACE2 target.
References
Cosar, Karagulleoglu, Unal, Ince, Uncuoglu et al., SARS-CoV-2 mutations and their viral variants, Cytokine Growth Factor Rev
Fang, Zheng, Lei, Wang, Zheng et al., Key residues influencing binding affinities of 2019-nCoV with ACE2 in different species, Brief Bioinform
Harvey, Carabelli, Jackson, Gupta, Thomson et al., SARS-CoV-2 variants, spike mutations and immune escape, Nat Rev Microbiol
J O U R N A L P R E, None
Jamieson, Rasmussen, An update on COVID-19 and pregnancy, Am J Obstet Gynecol
Lan, Ge, Yu, Shan, Zhou et al., Structure of the SARS-CoV-2 spike receptor-binding domain bound to the ACE2 receptor, Nature
Lei, Chen, Wu, Duan X Men, Small molecules in the treatment of COVID-19, Signal Transduct Tar
Li, Du, Liu, Li, Lv et al., Comparative susceptibility of SARS-CoV-2, SARS-CoV, and MERS-CoV across mammals, ISME J
Maria, Stefania, Carmela, Idolo, Gian, Roles of flavonoids against coronavirus infection, Chem Biol Interact
Mcgrath, Xue, Dillen, Oldfield, Assad-Garcia et al., SARS-CoV-2 variant spike and accessory gene mutations alter pathogenesis, Proc Natl Acad Sci U S A
Miller Br 3rd, Td, Swails, Homeyer, Gohlke et al., MMPBSA.py: An Efficient Program for End-State Free Energy Calculations, J Chem Theory Comput
Pan, Fang, Zhang, Pan, Liu et al., Chinese herbal compounds against SARS-CoV-2: Puerarin and quercetin impair the binding of viral S-protein to ACE2 receptor, Comput Struct Biotechnol J
Sonnleitner, Prelog, Sonnleitner, Hinterbichler, Halbfurter et al., Cumulative SARS-CoV-2 mutations and corresponding changes in immunity in an immunocompromised patient indicate viral evolution within the host, Nat Commun
Wang, Yang, Zhao, Co-crystallization and structure determination: An effective direction for anti-SARS-CoV-2 drug discovery, Comput Struct Biotechnol J
Zhang, Li, Wu, Yu, Zhang et al., Analysis of SARS-CoV-2 variants B.1.617: host tropism, proteolytic activation, cell-cell fusion, and neutralization sensitivity, Emerg Microbes J o u r n a l P r e -p r o o f Infect
Zhou, Xu, Wang, Anashkina, Jiang, Impact of mutations in SARS-COV-2 spike on viral infectivity and antigenicity, Brief Bioinform
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