Flavonoids as Antiviral Agents for Enterovirus A71 (EV-A71)

Lalani, Salima; Poh, Chit Laa

doi:10.3390/v12020184

Cited by 142 publications

(104 citation statements)

References 85 publications

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“…Lalani and Poh studied the in-vitro antiviral potency of flavonoids and their derivatives against enteroviral protease from the Enterovirus EV-A71 strain. Compounds namely, penduletin, quercetin, baicalein, and kaempferol exhibited best antiviral potentials with IC 50 values less than 10 mM (Lalani & Poh, 2020). Lin et al studied the efficiency of robustaflavone from Rhus succedanea as hepatitis B non-nucleoside inhibitor viral replication by inhibiting the RNA polymerase with an EC 50 value of 0.25 mM (Lin et al, 1997).…”

Section: Resultsmentioning

confidence: 99%

Molecular docking, validation, dynamics simulations, and pharmacokinetic prediction of natural compounds against the SARS-CoV-2 main-protease

Shivanika

Kumar²,

Ragunathan

et al. 2020

Journal of Biomolecular Structure and Dynamics

125

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The study aims to evaluate the potency of two hundred natural antiviral phytocompounds against the active site of the Severe Acquired Respiratory Syndrome-Coronavirus À 2 (SARS-CoV-2) Main-Protease (M pro) using AutoDock 4.2.6. The three-dimensional crystal structure of the M pro (PDB Id: 6LU7) was retrieved from the Protein Data Bank (PDB), the active site was predicted using MetaPocket 2.0. Food and Drug Administration (FDA) approved viral protease inhibitors were used as standards for comparison of results. The compounds theaflavin-3-3'-digallate, rutin, hypericin, robustaflavone, and (-)-solenolide A with respective binding energy of À12.41 (Ki ¼ 794.96 pM); À11.33 (Ki ¼ 4.98 nM); À11.17 (Ki ¼ 6.54 nM); À10.92 (Ki ¼ 9.85 nM); and À10.82 kcal/mol (Ki ¼ 11.88 nM) were ranked top as Coronavirus Disease À 2019 (COVID-19) M pro inhibitors. The interacting amino acid residues were visualized using Discovery Studio 3.5 to elucidate the 2-dimensional and 3-dimensional interactions. The study was validated by i) re-docking the N3-peptide inhibitor-M pro and superimposing them onto co-crystallized complex and ii) docking decoy ligands to M pro. The ligands that showed low binding energy were further predicted for and pharmacokinetic properties and Lipinski's rule of 5 and the results are tabulated and discussed. Molecular dynamics simulations were performed for 50 ns for those compounds using the Desmond package, Schr€ odinger to assess the conformational stability and fluctuations of protein-ligand complexes during the simulation. Thus, the natural compounds could act as a lead for the COVID-19 regimen after in-vitro and in-vivo clinical trials.

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Section: Resultsmentioning

confidence: 99%

Molecular docking, validation, dynamics simulations, and pharmacokinetic prediction of natural compounds against the SARS-CoV-2 main-protease

Shivanika

Kumar²,

Ragunathan

et al. 2020

Journal of Biomolecular Structure and Dynamics

125

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“…In general, antiviral compounds extracted from (micro)algae are mainly polysaccharides that have been screened against pathogenic human viruses ( Table 1). The mechanisms of action of these compounds against viruses are not fully clarified, but the activity seems to be related to their antioxidant power inhibiting the different stages of the viral infection, and interfering with its adhesion, penetration or replication [59]. For example, the sulfated polysaccharide isolated from the cyanobacteria Spirulina platensis, named Spirulan, has exhibited potent antiviral activity against both the herpes simplex virus type 1 (HSV-1) and the human immunodeficiency virus type 1 (HIV-1) [87].…”

Section: Marine Antioxidants and Antiviral Activitymentioning

confidence: 99%

Marine Algal Antioxidants as Potential Vectors for Controlling Viral Diseases

et al. 2020

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As the COVID-19 epidemic expands in the world, and with the previous SARS epidemic, avian flu, Ebola and AIDS serving as a warning, biomedical and biotechnological research has the task to find solutions to counteract viral entry and pathogenesis. A novel approach can come from marine chemodiversity, recognized as a relevant source for developing a future natural "antiviral pharmacy". Activities of antioxidants against viruses can be exploited to cope with human viral infection, from single individual infections to protection of populations. There is a potentially rich and fruitful reservoir of such compounds thanks to the plethora of bioactive molecules and families present in marine microorganisms. The aim of this communication is to present the state-of-play of what is known on the antiviral activities recognized in (micro)algae, highlighting the different molecules from various algae and their mechanisms of actions, when known. Given the ability of various algal molecules-mainly sulfated polysaccharides-to inhibit viral infection at Stage I (adsorption and invasion of cells), we envisage a need to further investigate the antiviral ability of algae, and their mechanisms of action. Given the advantages of microalgal production compared to other organisms, the opportunity might become reality in a short period of time.

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“…They have been widely used as potent bioactive agents in biological and pharmaceutical fields (Raffa et al, 2017;Spagnuolo et al, 2018;Dai et al, 2019). Recently, numerous studies have revealed that bioflavonoids with novel inherent molecular skeletons [e.g., dihydromyricetin, dihydroquercetin, myricetin, quercetin, kaempferol, and so on (Figure 1)] show valuable biological activities, including anticancer (Raffa et al, 2017;Madunić et al, 2018;Imran et al, 2019), antiviral (Lani et al, 2016;Dai et al, 2019;Lalani and Poh, 2020), anti-inflammatory (Zhang and Tsao, 2016; FIGURE 2 | Flavanone-metal complexes via the formation of five-and/or six-membered rings. Chen et al, 2017;Spagnuolo et al, 2018), and other effects (Amirhossein and Shadboorestan, 2016;Liang et al, 2019).…”

Section: Introductionmentioning

confidence: 99%

Evaluation of General Synthesis Procedures for Bioflavonoid–Metal Complexes in Air-Saturated Alkaline Solutions

Yao

Zhang

et al. 2020

Front. Chem.

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The general synthesis methods of bioflavonoid-metal complexes are considered to be unreliable due to the instability of flavonoids in air-saturated alkaline solutions. In this study, dihydromyricetin (DHM), as a representative bioflavonoid, was selected for complexation with various transition metal ions in an air-saturated alkaline solution to form DHM-metal(II) complexes, following the general synthetic procedure. After characterization, the metal complexes were hydrolyzed to observe the stability of DHM under acidic conditions via HPLC. The effects of synthetic conditions (metal ion, alkalinity, and reflux time) on DHM stability were then investigated by UV-vis spectroscopy and HPLC. Finally, using electron paramagnetic resonance, DHM and its analogs were observed with DMPO (5,5-dimethyl-1-pyrroline-N-oxide) to form a relatively stable free radical adduct. Multiple peaks corresponding to unknown compounds appeared in the LC spectra of the DHM-metal(II) complexes after hydrolysis, indicating that some DHM reacted during synthesis. Subsequently, the transition metal ion and solution alkalinity were found to have notable effects on the stability of free DHM. Furthermore, DHM and several of its analogs generated the superoxide-anion radical in air-saturated alkaline solutions. Their capacities for generating the superoxide anion seemed to correspond to the number and/or location of hydroxyl groups or their configurations. Interestingly, DHM can react with the superoxide anion to transform into myricetin, which involves the abstraction of a C3-H atom from DHM by O 2 −. Therefore, the general synthetic procedure for bioflavonoid-metal complexes in air-saturated alkaline solutions should be improved.

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Flavonoids as Antiviral Agents for Enterovirus A71 (EV-A71)

Cited by 142 publications

References 85 publications

Molecular docking, validation, dynamics simulations, and pharmacokinetic prediction of natural compounds against the SARS-CoV-2 main-protease

Molecular docking, validation, dynamics simulations, and pharmacokinetic prediction of natural compounds against the SARS-CoV-2 main-protease

Marine Algal Antioxidants as Potential Vectors for Controlling Viral Diseases

Evaluation of General Synthesis Procedures for Bioflavonoid–Metal Complexes in Air-Saturated Alkaline Solutions

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