Anti-SARS-CoV-2 activities of tanshinone IIA, carnosic acid, rosmarinic acid, salvianolic acid, baicalein, and glycyrrhetinic acid between computational and <i>in vitro</i> insights

Elebeedy, Dalia; Elkhatib, Walid F.; Kandeil, Ahmed; Ghanem, Aml; Kutkat, Omnia; Alnajjar, Radwan; Saleh, Marwa A.; Maksoud, Ahmed I. Abd El; Badawy, Ingy; Al‐Karmalawy, Ahmed A.

doi:10.1039/d1ra05268c

Cited by 100 publications

(66 citation statements)

References 60 publications

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“…The chemical investigation of three investigated plant extracts led to the isolation of five major flavonoid aglycones (1)(2)(3)(4)(5). Taxifolin (1) and pectolinarigenin (2) were obtained from A. hierochuntica and K. aegyptiaca, respectively, whereas the citrus peel extract afforded three methoxylated flavonoid aglycones-tangeretin (3), gardenin B (4), and hispidulin (5).…”

Section: Identification Of the Isolated Compoundsmentioning

confidence: 99%

“…Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2) represents an evolving global threat worldwide; its infection is characterized by acute respiratory symptoms, such as fever, dry cough, and shortness of breath with an incubation period of about 5 days (average 2-14 days) [1]. By 19 October 2021, 194 vaccines are in the pre-clinical phase and 127 candidate vaccines are in clinical progress (WHO, Vaccine tracker, and landscape) [2]. Currently, different types of vaccines are approved for use in many countries, such as Sanofi-GSK, BioNTech-Pfizer, Curevac, AstraZeneca (The University of Oxford), Moderna, and Johnson & Johnson [3].…”

Section: Introductionmentioning

confidence: 99%

“…However, vaccines are a prophylactic approach and cannot be implemented for treatment, especially in pandemic situations [4]. Furthermore, the search for new therapeutic drugs from safe natural sources is crucial during pandemics [2,[5][6][7][8][9][10][11][12][13]. Several naturally existing bioactive compounds were reported to behave as antiviral agents [14][15][16].…”

Section: Introductionmentioning

confidence: 99%

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Naturally Available Flavonoid Aglycones as Potential Antiviral Drug Candidates against SARS-CoV-2

et al. 2021

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Flavonoids are important secondary plant metabolites that have been studied for a long time for their therapeutic potential in inflammatory diseases because of their cytokine-modulatory effects. Five flavonoid aglycones were isolated and identified from the hydrolyzed aqueous methanol extracts of Anastatica hierochuntica L., Citrus reticulata Blanco, and Kickxia aegyptiaca (L.) Nabelek. They were identified as taxifolin (1), pectolinarigenin (2), tangeretin (3), gardenin B (4), and hispidulin (5). These structures were elucidated based on chromatographic and spectral analysis. In this study, molecular docking studies were carried out for the isolated and identified compounds against SARS-CoV-2 main protease (Mpro) compared to the co-crystallized inhibitor of SARS-CoV-2 Mpro (α-ketoamide inhibitor (KI), IC50 = 66.72 µg/mL) as a reference standard. Moreover, in vitro screening against SARS-CoV-2 was evaluated. Compounds 2 and 3 showed the highest virus inhibition with IC50 12.4 and 2.5 µg/mL, respectively. Our findings recommend further advanced in vitro and in vivo studies of the examined isolated flavonoids, especially pectolinarigenin (2), tangeretin (3), and gardenin B (4), either alone or in combination with each other to identify a promising lead to target SARS-CoV-2 effectively. This is the first report of the activity of these compounds against SARS-CoV-2.

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Section: Identification Of the Isolated Compoundsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Naturally Available Flavonoid Aglycones as Potential Antiviral Drug Candidates against SARS-CoV-2

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“…The immune status of COVID-19 patients has a great influence on the disease severity and complexity. Therefore, herbal products with an immunomodulatory effect could have a positive impact on COVID-19 patients as preventive and therapeutic agents [4,5]. Although COVID-19 vaccination has a great influence on controlling the disease, scientists are once again warning that vaccines alone will not end the pandemic.…”

Section: Introductionmentioning

confidence: 99%

Pimenta dioica (L.) Merr. Bioactive Constituents Exert Anti-SARS-CoV-2 and Anti-Inflammatory Activities: Molecular Docking and Dynamics, In Vitro, and In Vivo Studies

et al. 2021

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In response to the urgent need to control Coronavirus disease 19 (COVID-19), this study aims to explore potential anti-SARS-CoV-2 agents from natural sources. Moreover, cytokine immunological responses to the viral infection could lead to acute respiratory distress which is considered a critical and life-threatening complication associated with the infection. Therefore, the anti-viral and anti-inflammatory agents can be key to the management of patients with COVID-19. Four bioactive compounds, namely ferulic acid 1, rutin 2, gallic acid 3, and chlorogenic acid 4 were isolated from the leaves of Pimenta dioica (L.) Merr (ethyl acetate extract) and identified using spectroscopic evidence. Furthermore, molecular docking and dynamics simulations were performed for the isolated and identified compounds (1–4) against SARS-CoV-2 main protease (Mpro) as a proposed mechanism of action. Furthermore, all compounds were tested for their half-maximal cytotoxicity (CC50) and SARS-CoV-2 inhibitory concentrations (IC50). Additionally, lung toxicity was induced in rats by mercuric chloride and the effects of treatment with P. dioca aqueous extract, ferulic acid 1, rutin 2, gallic acid 3, and chlorogenic acid 4 were recorded through measuring TNF-α, IL-1β, IL-2, IL-10, G-CSF, and genetic expression of miRNA 21-3P and miRNA-155 levels to assess their anti-inflammatory effects essential for COVID-19 patients. Interestingly, rutin 2, gallic acid 3, and chlorogenic acid 4 showed remarkable anti-SARS-CoV-2 activities with IC50 values of 31 µg/mL, 108 μg/mL, and 360 µg/mL, respectively. Moreover, the anti-inflammatory effects were found to be better in ferulic acid 1 and rutin 2 treatments. Our results could be promising for more advanced preclinical and clinical studies especially on rutin 2 either alone or in combination with other isolates for COVID-19 management.

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“…The most catastrophic COVID-19 complication is ARDS, with higher mortality rates. Thus, fibrous stripes, ground-glass opacity, and affected lobes are common chest computed tomography (CT) results in a meta-analysis study [62]. In ARDS, hypoxemic respiratory failure is caused by an intrapulmonary ventilation-perfusion mismatch that necessitates immediate mechanical ventilation.…”

Section: Severe and Critical Symptomsmentioning

confidence: 99%

Coronavirus Disease (COVID-19) Control between Drug Repurposing and Vaccination: A Comprehensive Overview

et al. 2021

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Respiratory viruses represent a major public health concern, as they are highly mutated, resulting in new strains emerging with high pathogenicity. Currently, the world is suffering from the newly evolving severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). This virus is the cause of coronavirus disease 2019 (COVID-19), a mild-to-severe respiratory tract infection with frequent ability to give rise to fatal pneumonia in humans. The overwhelming outbreak of SARS-CoV-2 continues to unfold all over the world, urging scientists to put an end to this global pandemic through biological and pharmaceutical interventions. Currently, there is no specific treatment option that is capable of COVID-19 pandemic eradication, so several repurposed drugs and newly conditionally approved vaccines are in use and heavily applied to control the COVID-19 pandemic. The emergence of new variants of the virus that partially or totally escape from the immune response elicited by the approved vaccines requires continuous monitoring of the emerging variants to update the content of the developed vaccines or modify them totally to match the new variants. Herein, we discuss the potential therapeutic and prophylactic interventions including repurposed drugs and the newly developed/approved vaccines, highlighting the impact of virus evolution on the immune evasion of the virus from currently licensed vaccines for COVID-19.

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Anti-SARS-CoV-2 activities of tanshinone IIA, carnosic acid, rosmarinic acid, salvianolic acid, baicalein, and glycyrrhetinic acid between computational and in vitro insights

Abstract: Tanshinone IIA shows the most promising anti-SARS-CoV-2 biological activity: molecular docking, molecular dynamics, in vitro, and SAR studies.

Cited by 100 publications

References 60 publications

Naturally Available Flavonoid Aglycones as Potential Antiviral Drug Candidates against SARS-CoV-2

Naturally Available Flavonoid Aglycones as Potential Antiviral Drug Candidates against SARS-CoV-2

Pimenta dioica (L.) Merr. Bioactive Constituents Exert Anti-SARS-CoV-2 and Anti-Inflammatory Activities: Molecular Docking and Dynamics, In Vitro, and In Vivo Studies

Coronavirus Disease (COVID-19) Control between Drug Repurposing and Vaccination: A Comprehensive Overview

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