Bioactive compounds from marine resources against novel corona virus (2019-nCoV): <i>in silico</i> study for corona viral drug

Vijayaraj, R.; Altaff, K.; Rosita, A. Sherlin; Ramadevi, S.; Revathy, J

doi:10.1080/14786419.2020.1791115

Cited by 29 publications

(27 citation statements)

References 12 publications

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“…corrugate, showed effective inhibition activity to SARS-coronavirus M pro (Lira et al, 2007) at IC 50 46 μM (Coelho et al, 2020). Molecular docking also indicated their effective interaction with SARS-CoV-2 M pro (Vijayaraj et al, 2020). Molecular docking study also showed the potential interaction of naphthalene derivative, hamigeran-b, isolated from the marine sponge, Hamigera tarangaensis, with the M pro of SARS-CoV and SARS-CoV-2 (Vijayaraj et al, 2020).…”

Section: Marine Sponge-derived Drugs Against Other Vital Targets In Sars-cov-2 For Possible Multi-targeting Activity Marine Sponge As Potmentioning

confidence: 87%

Marine Sponge is a Promising Natural Source of Anti-SARS-CoV-2 Scaffold

et al. 2021

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The current pandemic caused by SARS-CoV2 and named COVID-19 urgent the need for novel lead antiviral drugs. Recently, United States Food and Drug Administration (FDA) approved the use of remdesivir as anti-SARS-CoV-2. Remdesivir is a natural product-inspired nucleoside analogue with significant broad-spectrum antiviral activity. Nucleosides analogues from marine sponge including spongouridine and spongothymidine have been used as lead for the evolutionary synthesis of various antiviral drugs such as vidarabine and cytarabine. Furthermore, the marine sponge is a rich source of compounds with unique activities. Marine sponge produces classes of compounds that can inhibit the viral cysteine protease (Mpro) such as esculetin and ilimaquinone and human serine protease (TMPRSS2) such as pseudotheonamide C and D and aeruginosin 98B. Additionally, sponge-derived compounds such as dihydrogracilin A and avarol showed immunomodulatory activity that can target the cytokines storm. Here, we reviewed the potential use of sponge-derived compounds as promising therapeutics against SARS-CoV-2. Despite the reported antiviral activity of isolated marine metabolites, structural modifications showed the importance in targeting and efficacy. On that basis, we are proposing a novel structure with bifunctional scaffolds and dual pharmacophores that can be superiorly employed in SARS-CoV-2 infection.

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Section: Marine Sponge-derived Drugs Against Other Vital Targets In Sars-cov-2 For Possible Multi-targeting Activity Marine Sponge As Potmentioning

confidence: 87%

Marine Sponge is a Promising Natural Source of Anti-SARS-CoV-2 Scaffold

et al. 2021

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“…Similarly, coumarin derivatives from a marine sponge were also observed to display in vitro activities against SARS-CoV M pro (De Lira et al, 2007). In the same way, molecular dockingbased studies recently identified potential leads of marine origin against SARS-CoV-2 M pro (Gentile et al, 2020;Khan et al, 2020a;Vijayaraj et al, 2020). This literature survey and the recent studies on marine compounds have therefore inspired us to intensively search for additional potent inhibitors.…”

Section: Introductionmentioning

confidence: 91%

Computational Simulations Identified Marine-Derived Natural Bioactive Compounds as Replication Inhibitors of SARS-CoV-2

et al. 2021

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The rapid spread of COVID-19, caused by the novel severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), is a worldwide health emergency. Unfortunately, to date, a very small number of remedies have been to be found effective against SARS-CoV-2 infection. Therefore, further research is required to achieve a lasting solution against this deadly disease. Repurposing available drugs and evaluating natural product inhibitors against target proteins of SARS-CoV-2 could be an effective approach to accelerate drug discovery and development. With this strategy in mind, we derived Marine Natural Products (MNP)-based drug-like small molecules and evaluated them against three major target proteins of the SARS-CoV-2 virus replication cycle. A drug-like database from MNP library was generated using Lipinski’s rule of five and ADMET descriptors. A total of 2,033 compounds were obtained and were subsequently subjected to molecular docking with 3CLpro, PLpro, and RdRp. The docking analyses revealed that a total of 14 compounds displayed better docking scores than the reference compounds and have significant molecular interactions with the active site residues of SARS-CoV-2 virus targeted proteins. Furthermore, the stability of docking-derived complexes was analyzed using molecular dynamics simulations and binding free energy calculations. The analyses revealed two hit compounds against each targeted protein displaying stable behavior, binding affinity, and molecular interactions. Our investigation identified two hit compounds against each targeted proteins displaying stable behavior, higher binding affinity and key residual molecular interactions, with good in silico pharmacokinetic properties, therefore can be considered for further in vitro studies.

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“…Numerous bioactive substances, important in public health disease treatment and control, have been isolated from marine sponges. The most promising drugs are those for treatment of malaria, manzamines, with antiplasmodial (Yousaf et al, 2002) and even immunomodulating activity (Ang et al, 2001), as well as activities against atherosclerosis (Stead et al, 2000), cardiovascular diseases (Barrese and Taglialatela, 2013) and against the novel corona virus 2019-nCoV (Vijayaraj et al, 2020). A group of particular interest is the microtubule-stabilizing drugs, potent macrolide secondary metabolites isolated from New Zealand marine sponge Mycale hentscheli: peloruside A, mycalamide A and pateamine as well as zampanolide from the Tongan sponge Cacospongia mycofijiensis (Miller et al, 2010).…”

Section: Potential Future Prospects In Healthcare and Well-beingmentioning

confidence: 99%

The Essentials of Marine Biotechnology

Barbier²,

et al. 2021

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Coastal countries have traditionally relied on the existing marine resources (e.g., fishing, food, transport, recreation, and tourism) as well as tried to support new economic endeavors (ocean energy, desalination for water supply, and seabed mining). Modern societies and lifestyle resulted in an increased demand for dietary diversity, better health and well-being, new biomedicines, natural cosmeceuticals, environmental conservation, and sustainable energy sources. These societal needs stimulated the interest of researchers on the diverse and underexplored marine environments as promising and sustainable sources of biomolecules and biomass, and they are addressed by the emerging field of marine (blue) biotechnology. Blue biotechnology provides opportunities for a wide range of initiatives of commercial interest for the pharmaceutical, biomedical, cosmetic, nutraceutical, food, feed, agricultural, and related industries. This article synthesizes the essence, opportunities, responsibilities, and challenges encountered in marine biotechnology and outlines the attainment and valorization of directly derived or bio-inspired products from marine organisms. First, the concept of bioeconomy is introduced. Then, the diversity of marine bioresources including an overview of the most prominent marine organisms and their potential for biotechnological uses are described. This is followed by introducing methodologies for exploration of these resources and the main use case scenarios in energy, food and feed, agronomy, bioremediation and climate change, cosmeceuticals, bio-inspired materials, healthcare, and well-being sectors. The key aspects in the fields of legislation and funding are provided, with the emphasis on the importance of communication and stakeholder engagement at all levels of biotechnology development. Finally, vital overarching concepts, such as the quadruple helix and Responsible Research and Innovation principle are highlighted as important to follow within the marine biotechnology field. The authors of this review are collaborating under the European Commission-funded Cooperation in Science and Technology (COST) Action Ocean4Biotech – European transdisciplinary networking platform for marine biotechnology and focus the study on the European state of affairs.

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Bioactive compounds from marine resources against novel corona virus (2019-nCoV): in silico study for corona viral drug

Cited by 29 publications

References 12 publications

Marine Sponge is a Promising Natural Source of Anti-SARS-CoV-2 Scaffold

Marine Sponge is a Promising Natural Source of Anti-SARS-CoV-2 Scaffold

Computational Simulations Identified Marine-Derived Natural Bioactive Compounds as Replication Inhibitors of SARS-CoV-2

The Essentials of Marine Biotechnology

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