Inhibition of the predicted allosteric site of the SARS-CoV-2 main protease through flavonoids

Kubra, Bibi; Badshah, Syed Lal; Faisal, Shah; Sharaf, Mohamed; Emwas, Abdul‐Hamid; Jaremko, Mariusz; Abdalla, Mohnad

doi:10.1080/07391102.2022.2140201

Cited by 8 publications

(2 citation statements)

References 72 publications

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“…Table 2 summarizes publications from 2020 to 2024, which investigated in silico hesperidin as a potential compound against SARS-CoV-2 [ 15 , 47 , 48 , 49 , 50 , 51 , 52 , 53 , 54 , 55 , 56 , 57 , 58 , 59 , 60 , 61 , 62 , 63 , 64 , 65 , 66 , 67 , 68 , 69 , 70 , 71 , 72 , 73 , 74 , 75 , 76 , 77 , 78 ]. Computational techniques used in the study include molecular docking, quantum chemical density functional theory (DFT) calculations, virtual screening, molecular dynamics simulations, quantitative structure-activity relationship analysis, structure-based virtual screening, molecular modeling techniques, predictive ADME studies, machine learning approaches, pharmacophore modeling and density functional theory.…”

Section: Hesperidin Versus Sars-cov-2mentioning

confidence: 99%

Hesperidin, a Potential Antiviral Agent against SARS-CoV-2: The Influence of Citrus Consumption on COVID-19 Incidence and Severity in China

Kowalczyk

2024

Medicina

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This review examines hesperidin, a citrus bioflavonoid, as a potential antiviral agent against SARS-CoV-2. The COVID-19 pandemic has demanded an urgent need to search for effective antiviral compounds, including those of natural origin, such as hesperidin. The review provides a comprehensive analysis of the chemical properties, bioavailability and antiviral mechanisms of hesperidin, particularly its potential efficacy against SARS-CoV-2. A review of databases, including PubMedPico, Scopus and Web of Science, was conducted using specific keywords and search criteria in accordance with PRISMA (Re-porting Items for Systematic Reviews and Meta-Analysis) guidelines between 2020 and 2024. Of the 207 articles, 37 were selected for the review. A key aspect is the correlation of in vitro, in silico and clinical studies on the antiviral effects of hesperidin with epidemiological data on citrus consumption in China during 2020–2024. The importance of integrating laboratory findings with actual consumption patterns to better understand the role of hesperidin in mitigating COVID-19 was highlighted, and an attempt was made to analyze epidemiological studies to examine the association between citrus juice consumption as a source of hesperidin and the incidence and severity of COVID-19 using China as an example. The review identifies consistencies and discrepancies between experimental and epidemiological data, highlighting the need to correlate the two fields to better understand the potential of hesperidin as an agent against SARS-CoV-2. Challenges and limitations in interpreting the results and future research perspectives in this area are discussed. The aim of this comprehensive review is to bridge the gap between experimental studies and epidemiological evidence and to contribute to the understanding of their correlation.

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Section: Hesperidin Versus Sars-cov-2mentioning

confidence: 99%

Hesperidin, a Potential Antiviral Agent against SARS-CoV-2: The Influence of Citrus Consumption on COVID-19 Incidence and Severity in China

Kowalczyk

2024

Medicina

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“…Coronaviruses are also known as picornaviruses [60]. They carry a positive-sense RNA as genetic material and are commonly found in birds and other animals [61]. They cause a variety of disorders, the most prevalent of which are respiratory diseases including SARS-CoV-2 [62][63][64][65].…”

Section: Alkaloids Against Sars-cov-2mentioning

confidence: 99%

Alkaloids as potential antivirals. A comprehensive review

Faisal

Badshah

Kubra

et al. 2023

Nat. Prod. Bioprospect.

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Alkaloids are a diverse group of natural phytochemicals. These phytochemicals in plants provide them protection against pests, and herbivorous organisms and also control their development. Numerous of these alkaloids have a variety of biological effects, and some have even been developed into medications with different medicinal properties. This review aims to provide a broad overview of the numerous naturally occurring alkaloids (isolated from both terrestrial and aquatic species) along with synthetically produced alkaloid compounds having prominent antiviral properties. Previous reviews on this subject have focused on the biological actions of both natural and synthetic alkaloids, but they have not gone into comprehensive detail about their antiviral properties. We reviewed here several antiviral alkaloids that have been described in the literature in different investigational environments i.e. (in-vivo, in-ovo, in-vitro, and in-silico), and found that these alkaloid compounds have significant antiviral properties against several infectious viruses. These alkaloids repressed and targeted various important stages of viral infection at non-toxic doses while some of the alkaloids reported here also exhibited comparable inhibitory activities to commercially used drugs. Overall, these anti-viral effects of alkaloids point to a high degree of specificity, implying that they could serve as effective and safe antiviral medicines if further pursued in medicinal and pharmacological investigations.

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In-silico assessment of bioactive compounds from chewing stick (Salvadora persica) against N-acetylneuraminate lyase (5ZKA) of Fusobacterium nucleatum involved in salicyclic acid metabolism

Nwaokorie,

Abdalla,

Edet

et al. 2024

Journal of Molecular Structure

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Inhibition of the predicted allosteric site of the SARS-CoV-2 main protease through flavonoids

Cited by 8 publications

References 72 publications

Hesperidin, a Potential Antiviral Agent against SARS-CoV-2: The Influence of Citrus Consumption on COVID-19 Incidence and Severity in China

Hesperidin, a Potential Antiviral Agent against SARS-CoV-2: The Influence of Citrus Consumption on COVID-19 Incidence and Severity in China

Alkaloids as potential antivirals. A comprehensive review

In-silico assessment of bioactive compounds from chewing stick (Salvadora persica) against N-acetylneuraminate lyase (5ZKA) of Fusobacterium nucleatum involved in salicyclic acid metabolism

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