Repurposing of Some Natural Product Isolates as SARS-COV-2 Main Protease Inhibitors via In Vitro Cell Free and Cell-Based Antiviral Assessments and Molecular Modeling Approaches

Abdallah, Hossam M.; El-Halawany, Ali M.; Sirwi, Alaa; El-Araby, Amr M.; Mohamed, Gamal A.; Ibrahim, Sabrin R. M.; Koshak, Abdulrahman E.; Asfour, Hani Z.; Awan, Zuhier; Elfaky, Mahmoud A.

doi:10.3390/ph14030213

Cited by 52 publications

(48 citation statements)

References 50 publications

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“…Among compounds, myrcetin (flavonol), naringenin (flavonone) and epigallocatechin (flavan-3-ol), vitexin (flavone) and diarylheptanoid dimethylcurcumin (curcuminoid) were the most active. Focusing on naringenin, the obtained result agrees with other in vitro studies that reported that, in fact, this compound can interact with M pro , showing an inhibitory IC 50 value of 92 nM [ 89 ]. This compound is very abundant in orange, grapefruits and derivative juices, which in turn, present considerable amounts of vitamins C and D, and whose abilities to reduce the severity of symptoms caused by flu states are known [ 62 , 90 , 91 ].…”

Section: Uptake Of Phenolic Compounds In Dietary Supplements In Covid-19supporting

confidence: 89%

Consumption of Phenolic-Rich Food and Dietary Supplements as a Key Tool in SARS-CoV-19 Infection

Flores-Félix

Gonçalves

Alves

et al. 2021

Foods

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The first cases of COVID-19, which is caused by the SARS-CoV-2, were reported in December 2019. The vertiginous worldwide expansion of SARS-CoV-2 caused the collapse of health systems in several countries due to the high severity of the COVID-19. In addition to the vaccines, the search for active compounds capable of preventing and/or fighting the infection has been the main direction of research. Since the beginning of this pandemic, some evidence has highlighted the importance of a phenolic-rich diet as a strategy to reduce the progression of this disease, including the severity of the symptoms. Some of these compounds (e.g., curcumin, gallic acid or quercetin) already showed capacity to limit the infection of viruses by inhibiting entry into the cell through its binding to protein Spike, regulating the expression of angiotensin-converting enzyme 2, disrupting the replication in cells by inhibition of viral proteases, and/or suppressing and modulating the host’s immune response. Therefore, this review intends to discuss the most recent findings on the potential of phenolics to prevent SARS-CoV-2.

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Section: Uptake Of Phenolic Compounds In Dietary Supplements In Covid-19supporting

confidence: 89%

Consumption of Phenolic-Rich Food and Dietary Supplements as a Key Tool in SARS-CoV-19 Infection

Flores-Félix

Gonçalves

Alves

et al. 2021

Foods

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“…Results showed that the extract inhibited HSV-1 replication by blocking much of viral gene expression, which almost halved at a concentration of 10 µg/mL. The outcomes on the replication are in accordance with literature [67][68][69][70][71], demonstrating that the leaf extract had a virucidal action and could be used as a prophylactic treatment for herpetic infections. Anti-SARS-CoV-2 activity of V. vinifera leaf extract was also investigated through the spike protein (S) gene expression (Figure 8).…”

Section: Cytotoxicity Evaluationsupporting

confidence: 87%

Antiviral Activity of Vitis vinifera Leaf Extract against SARS-CoV-2 and HSV-1

Zannella

Giugliano

Chianese

et al. 2021

Viruses

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Vitis vinifera represents an important and renowned source of compounds with significant biological activity. Wines and winery bioproducts, such as grape pomace, skins, and seeds, are rich in bioactive compounds against a wide range of human pathogens, including bacteria, fungi, and viruses. However, little is known about the biological properties of vine leaves. The aim of this study was the evaluation of phenolic composition and antiviral activity of Vitis vinifera leaf extract against two human viruses: the Herpes simplex virus type 1 (HSV-1) and the pandemic and currently widespread severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). About 40 phenolic compounds were identified in the extract by HPLC-MS/MS analysis: most of them were quercetin derivatives, others included derivatives of luteolin, kaempferol, apigenin, isorhamnetin, myricetin, chrysoeriol, biochanin, isookanin, and scutellarein. Leaf extract was able to inhibit both HSV-1 and SARS-CoV-2 replication in the early stages of infection by directly blocking the proteins enriched on the viral surface, at a very low concentration of 10 μg/mL. These results are very promising and highlight how natural extracts could be used in the design of antiviral drugs and the development of future vaccines.

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“…Recently, a number of other natural products have shown interesting inhibitory activity against SARS CoV-2 M pro catalytic activity, particularly flavonoids [ 14 , 15 , 16 ]. For example, baicalein has exhibited potent micromolar inhibition (IC 50 = 0.94 µM), and its crystal structure with M pro indicated that its main molecular interactions were with GLY-143 and GLU-166 [ 15 ].…”

Section: Resultsmentioning

confidence: 99%

Olive-Derived Triterpenes Suppress SARS COV-2 Main Protease: A Promising Scaffold for Future Therapeutics

et al. 2021

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SARS CoV-2 pandemic is still considered a global health disaster, and newly emerged variants keep growing. A number of promising vaccines have been recently developed as a protective measure; however, cost-effective treatments are also of great importance to support this critical situation. Previously, betulinic acid has shown promising antiviral activity against SARS CoV via targeting its main protease. Herein, we investigated the inhibitory potential of this compound together with three other triterpene congeners (i.e., ursolic acid, maslinic acid, and betulin) derived from olive leaves against the viral main protease (Mpro) of the currently widespread SARS CoV-2. Interestingly, betulinic, ursolic, and maslinic acids showed significant inhibitory activity (IC50 = 3.22–14.55 µM), while betulin was far less active (IC50 = 89.67 µM). A comprehensive in-silico analysis (i.e., ensemble docking, molecular dynamic simulation, and binding-free energy calculation) was then performed to describe the binding mode of these compounds with the enzyme catalytic active site and determine the main essential structural features required for their inhibitory activity. Results presented in this communication indicated that this class of compounds could be considered as a promising lead scaffold for developing cost-effective anti-SARS CoV-2 therapeutics.

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Repurposing of Some Natural Product Isolates as SARS-COV-2 Main Protease Inhibitors via In Vitro Cell Free and Cell-Based Antiviral Assessments and Molecular Modeling Approaches

Cited by 52 publications

References 50 publications

Consumption of Phenolic-Rich Food and Dietary Supplements as a Key Tool in SARS-CoV-19 Infection

Consumption of Phenolic-Rich Food and Dietary Supplements as a Key Tool in SARS-CoV-19 Infection

Antiviral Activity of Vitis vinifera Leaf Extract against SARS-CoV-2 and HSV-1

Olive-Derived Triterpenes Suppress SARS COV-2 Main Protease: A Promising Scaffold for Future Therapeutics

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