Evaluation of Flavonoids as 2019-nCoV Cell Entry Inhibitor Through Molecular Docking and Pharmacological Analysis

Bhowmik, Deep; Nandi, Rajat; Kumar, Diwakar

doi:10.26434/chemrxiv.12071508.v1

Cited by 12 publications

(13 citation statements)

References 39 publications

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“…Recent research teams characterized the interaction site of the S protein of the SARS‐CoV‐2 virus and revealed that flavonoids can bind ACE2, regulate the ACE1 and ACE2 levels, and maintain their basal levels (Bhowmik, Nandi, Prakash, & Kumar, 2021; Derosa, Maffioli, D'Angelo, & Di Pierro, 2021; El‐Missiry, Fekri, Kesar, & Othman, 2021; J. Gao et al, 2021; Gour, Manhas, Bag, Gorain, & Nandi, 2021; H. Chen & Du, 2020; Cherrak, Merzouk, & Mokhtari‐Soulimane, 2020; Khan et al, 2021; Mendonca & Soliman, 2020; Muchtaridi, Fauzi, Ikram, Gazzali, & Wahab, 2020; Omotuyi et al, 2021; Russo, Moccia, Spagnuolo, Tedesco, & Russo, 2020; Tutunchi, Naeini, Ostadrahimi, & Hosseinzadeh‐Attar, 2020; J. W. Yu, Wang, & Bao, 2020). In addition, disruption of the interaction between ACE2 and the SARS‐CoV‐2 spike protein is the main effect of flavonoids.…”

Section: Flavonoidsmentioning

confidence: 99%

Therapeutic and prophylactic effect of flavonoids inpost‐COVID‐19 therapy

Bardelčíková¹,

Miroššay²,

Šoltýs

et al. 2022

Phytotherapy Research

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The high incidence of post-covid symptoms in humans confirms the need for effective treatment. Due to long-term complications across several disciplines, special treatment programs emerge for affected patients, emphasizing multidisciplinary care. For these reasons, we decided to look at current knowledge about possible long-term complications of COVID-19 disease and then present the effect of flavonoids, which could help alleviate or eliminate complications in humans after overcoming the COVID-19 infection. Based on articles published from 2003 to 2021, we summarize the flavonoids-based molecular mechanisms associated with the post-COVID-19 syndrome and simultaneously provide a complex view regarding their prophylactic and therapeutic potential. Review clearly sorts out the outcome of post-COVID-19 syndrome according particular body systems. The conclusion is that flavonoids play an important role in prevention of many diseases. We suggest that flavonoids as critical nutritional supplements, are suitable for the alleviation and shortening of the period associated with the post-COVID-19 syndrome. The most promising flavonoid with noteworthy therapeutic and prophylactic effect appears to be quercetin.

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Section: Flavonoidsmentioning

confidence: 99%

Therapeutic and prophylactic effect of flavonoids inpost‐COVID‐19 therapy

Bardelčíková¹,

Miroššay²,

Šoltýs

et al. 2022

Phytotherapy Research

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“…The high reactivity of the resorcinol structure is primarily associated with the location of these two hydroxyl groups in the benzene ring [110]. The resorcinol moiety of ring A might play a role in ACE2 inhibition, as this group might disrupt hydrogen bonds between Glu329/Gln325 of ACE2 and Arg426 of the S protein of SARS CoV-2, which form a salt bridge to stabilize their interaction [72,73].This hydrophobic interaction occurs in ring C with some non-polar amino acid residues such as Gly354, Asp355, and Phe356 [111].…”

Section: Flavonoids As Ace2 Inhibitorsmentioning

confidence: 99%

Natural Flavonoids as Potential Angiotensin-Converting Enzyme 2 Inhibitors for Anti-SARS-CoV-2

et al. 2020

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Over the years, coronaviruses (CoV) have posed a severe public health threat, causing an increase in mortality and morbidity rates throughout the world. The recent outbreak of a novel coronavirus, named severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) caused the current Coronavirus Disease 2019 (COVID-19) pandemic that affected more than 215 countries with over 23 million cases and 800,000 deaths as of today. The situation is critical, especially with the absence of specific medicines or vaccines; hence, efforts toward the development of anti-COVID-19 medicines are being intensively undertaken. One of the potential therapeutic targets of anti-COVID-19 drugs is the angiotensin-converting enzyme 2 (ACE2). ACE2 was identified as a key functional receptor for CoV associated with COVID-19. ACE2, which is located on the surface of the host cells, binds effectively to the spike protein of CoV, thus enabling the virus to infect the epithelial cells of the host. Previous studies showed that certain flavonoids exhibit angiotensin-converting enzyme inhibition activity, which plays a crucial role in the regulation of arterial blood pressure. Thus, it is being postulated that these flavonoids might also interact with ACE2. This postulation might be of interest because these compounds also show antiviral activity in vitro. This article summarizes the natural flavonoids with potential efficacy against COVID-19 through ACE2 receptor inhibition.

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“…Crystal structure modeling of both ACE-2 and SARS-CoV-2 S protein has identified flavonoids, a subgroup of phenolic compounds, as suitable candidates for binding and inhibiting both molecules in silico [60]. Assessment has started on these compounds in vitro, and there are successes showing SARS-CoV-2 inhibition with phenolic compounds also effective against SARS-CoV [61,62].…”

Section: Blocking the Sars Viruses Connection With Ace-2mentioning

confidence: 99%

Influence of Herbal Medicines on HMGB1 Release, SARS-CoV-2 Viral Attachment, Acute Respiratory Failure, and Sepsis. A Literature Review

Wyganowska‐Świątkowska¹,

Nohawica²,

Grocholewicz

et al. 2020

IJMS

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By attaching to the angiotensin converting enzyme 2 (ACE2) protein on lung and intestinal cells, Sudden Acute Respiratory Syndrome (SARS-CoV-2) can cause respiratory and homeostatic difficulties leading to sepsis. The progression from acute respiratory failure to sepsis has been correlated with the release of high-mobility group box 1 protein (HMGB1). Lack of effective conventional treatment of this septic state has spiked an interest in alternative medicine. This review of herbal extracts has identified multiple candidates which can target the release of HMGB1 and potentially reduce mortality by preventing progression from respiratory distress to sepsis. Some of the identified mixtures have also been shown to interfere with viral attachment. Due to the wide variability in chemical superstructure of the components of assorted herbal extracts, common motifs have been identified. Looking at the most active compounds in each extract it becomes evident that as a group, phenolic compounds have a broad enzyme inhibiting function. They have been shown to act against the priming of SARS-CoV-2 attachment proteins by host and viral enzymes, and the release of HMGB1 by host immune cells. An argument for the value in a nonspecific inhibitory action has been drawn. Hopefully these findings can drive future drug development and clinical procedures.

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Evaluation of Flavonoids as 2019-nCoV Cell Entry Inhibitor Through Molecular Docking and Pharmacological Analysis

Cited by 12 publications

References 39 publications

Therapeutic and prophylactic effect of flavonoids inpost‐COVID‐19 therapy

Therapeutic and prophylactic effect of flavonoids inpost‐COVID‐19 therapy

Natural Flavonoids as Potential Angiotensin-Converting Enzyme 2 Inhibitors for Anti-SARS-CoV-2

Influence of Herbal Medicines on HMGB1 Release, SARS-CoV-2 Viral Attachment, Acute Respiratory Failure, and Sepsis. A Literature Review

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