Dieckol, a SARS-CoV 3CLpro inhibitor, isolated from the edible brown algae Ecklonia cava

Park, Jiyoung; Kim, Young Ho; Kwon, Jung Min; Kwon, Hyung Jun; Jeong, Hyung Jae; Kim, Young Min; Kim, Doman; Lee, Woo Song; Ryu, Young Bae

doi:10.1016/j.bmc.2013.04.026

Cited by 171 publications

(112 citation statements)

References 31 publications

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“…Noteworthy, dieckol (11) has already reported as one of the most potent SARS-CoV-1 M pr phlorotannin inhibitors (IC50 = 2.7 μM). Docking studies highlighted that interactions between dieckol and the amino acid residues in the active site of M pr are mainly constituted by a H-bonds network with a calculated binding energy of −11.76 kcal/mol [26], that is comparable to the energy found by us with the SARS-CoV-2 M pr .…”

Section: $$supporting

confidence: 69%

Putative Inhibitors of SARS-CoV-2 Main Protease from A Library of Marine Natural Products: A Virtual Screening and Molecular Modeling Study

et al. 2020

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The current emergency due to the worldwide spread of the COVID-19 caused by the new severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is a great concern for global public health. Already in the past, the outbreak of severe acute respiratory syndrome (SARS) in 2003 and Middle Eastern respiratory syndrome (MERS) in 2012 demonstrates the potential of coronaviruses to cross-species borders and further underlines the importance of identifying new-targeted drugs. An ideal antiviral agent should target essential proteins involved in the lifecycle of SARS-CoV. Currently, some HIV protease inhibitors (i.e., Lopinavir) are proposed for the treatment of COVID-19, although their effectiveness has not yet been assessed. The main protease (M pro ) provides a highly validated pharmacological target for the discovery and design of inhibitors. We identified potent M pro inhibitors employing computational techniques that entail the screening of a Marine Natural Product (MNP) library. MNP library was screened by a hyphenated pharmacophore model, and molecular docking approaches. Molecular dynamics and re-docking further confirmed the results obtained by structure-based techniques and allowed this study to highlight some crucial aspects. Seventeen potential SARS-CoV-2 M pro inhibitors have been identified among the natural substances of marine origin. As these compounds were extensively validated by a consensus approach and by molecular dynamics, the likelihood that at least one of these compounds could be bioactive is excellent.

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Section: $$supporting

confidence: 69%

Putative Inhibitors of SARS-CoV-2 Main Protease from A Library of Marine Natural Products: A Virtual Screening and Molecular Modeling Study

et al. 2020

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“…Hwang et al. reported a suppressive effect of dieckol on UVB‐induced skin cancer . Interestingly, a recent study showed an inhibitory effect of diekcol on adipogenesis of 3T3‐L1 via AMPKα activation .…”

Section: Discussionmentioning

confidence: 99%

“…Dieckol is known to be a major phlorotannin of both Seapolynoland Ecklonia cava itself . Various biological studies of dieckol to date have been reported . Lee et al.…”

Section: Introductionmentioning

confidence: 99%

Dieckol, a major phlorotannin in Ecklonia cava, suppresses lipid accumulation in the adipocytes of high‐fat diet‐fed zebrafish and mice: Inhibition of early adipogenesis via cell‐cycle arrest and AMPKα activation

Choi

Jeon

Lee

et al. 2015

Molecular Nutrition Food Res

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“…Through in silico and biological processing, a series of small molecules, including those from natural compounds, have been screened and confirmed to directly inhibit these important proteins in SARS or Middle East respiratory syndrome (MERS) coronavirus [17][18][19][20][21][22][23]. The gene sequence of 2019-nCoV has been released, which suggests high similarities between the main proteins in this virus and those previously identified in SARS-Cov or MERS-Cov [24,25].…”

Section: Introductionmentioning

confidence: 94%

In silico screening of Chinese herbal medicines with the potential to directly inhibit 2019 novel coronavirus

Zhang¹,

Zhang³

et al. 2020

Journal of Integrative Medicine

433

395

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a b s t r a c tObjective: In this study we execute a rational screen to identify Chinese medical herbs that are commonly used in treating viral respiratory infections and also contain compounds that might directly inhibit 2019 novel coronavirus (2019-nCoV), an ongoing novel coronavirus that causes pneumonia. Methods: There were two main steps in the screening process. In the first step we conducted a literature search for natural compounds that had been biologically confirmed as against sever acute respiratory syndrome coronavirus or Middle East respiratory syndrome coronavirus. Resulting compounds were cross-checked for listing in the Traditional Chinese Medicine Systems Pharmacology Database. Compounds meeting both requirements were subjected to absorption, distribution, metabolism and excretion (ADME) evaluation to verify that oral administration would be effective. Next, a docking analysis was used to test whether the compound had the potential for direct 2019-nCoV protein interaction. In the second step we searched Chinese herbal databases to identify plants containing the selected compounds. Plants containing 2 or more of the compounds identified in our screen were then checked against the catalogue for classic herbal usage. Finally, network pharmacology analysis was used to predict the general in vivo effects of each selected herb. Results: Of the natural compounds screened, 13 that exist in traditional Chinese medicines were also found to have potential anti-2019-nCoV activity. Further, 125 Chinese herbs were found to contain 2 or more of these 13 compounds. Of these 125 herbs, 26 are classically catalogued as treating viral respiratory infections. Network pharmacology analysis predicted that the general in vivo roles of these 26 herbal plants were related to regulating viral infection, immune/inflammation reactions and hypoxia response. Conclusion: Chinese herbal treatments classically used for treating viral respiratory infection might contain direct anti-2019-nCoV compounds.

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Dieckol, a SARS-CoV 3CLpro inhibitor, isolated from the edible brown algae Ecklonia cava

Cited by 171 publications

References 31 publications

Putative Inhibitors of SARS-CoV-2 Main Protease from A Library of Marine Natural Products: A Virtual Screening and Molecular Modeling Study

Putative Inhibitors of SARS-CoV-2 Main Protease from A Library of Marine Natural Products: A Virtual Screening and Molecular Modeling Study

Dieckol, a major phlorotannin in Ecklonia cava, suppresses lipid accumulation in the adipocytes of high‐fat diet‐fed zebrafish and mice: Inhibition of early adipogenesis via cell‐cycle arrest and AMPKα activation

In silico screening of Chinese herbal medicines with the potential to directly inhibit 2019 novel coronavirus

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