Crambescidin Acid from the French Polynesian Monanchora n. sp. Marine Sponge

El-Demerdash, Amr; Petek, Sylvain; Debitus, Cécile; Al‐Mourabit, Ali

doi:10.1007/s10600-020-03262-1

Cited by 3 publications

(3 citation statements)

References 26 publications

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“…Also, it is a rich and promising source of bioactive compounds as well as other medicinal, nutritional, and pharmacological potentials (Carroll et al, 2022;El-Demerdash et al, 2020a;Ghareeb et al, 2020;Holland and Carroll, 2023;Ibrahim et al, 2021). Moreover, the marine environment is characterized by its chemical diversity and biomedical value highlighting its massive potential as a vital source of therapeutic agents (Carroll et al, 2020(Carroll et al, , 2021El-Demerdash et al, 2020b, 2021Liang et al, 2023). In the same context, a diverse array of chemical compounds has been isolated or identified from different marine organisms such as alkaloids (Moriou et al, 2021;Tempone et al, 2021), anthraquinones (Chen et al, 2022), peptides (Ghareeb et al, 2020), polysaccharides (Ghareeb et al, 2020), polyketides (Ghareeb et al, 2020), and terpenes (Chen et al, 2022).…”

Section: Marine Nps (Mnps)mentioning

confidence: 99%

Chemical diversity and therapeutic potentialities of seaweeds and marine sponges collected from the Red Sea: An update

Abdelrahman,

Mohsen,

Ghareeb

et al. 2023

J Appl Pharm Sci

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The marine environment is a vast and diverse ecosystem that is a valuable source of biologically active ingredients for the drug industry. For decades, natural products from marine organisms have been a major supplier of curative agents. Over 30,000 metabolites have been recorded from different marine organisms and associated microorganisms. Marine-derived compounds have diverse chemical structures, biological and pharmacological applications, making them a promising platform for drug discovery from natural sources. This review highlights a comprehensive survey of the phytochemical and biological aspects of selected seaweed and marine sponges found in the Red Sea. These organisms, such as seagrass (Thalassia hemprichii) and marine sponges (Siphonochalina siphonella, Latrunculia magnifica, and Crella (Grayella) cyathophora), have been found to contain numerous chemical ingredients with therapeutic properties. Phenolic compounds in T. hemprichii have antioxidant and anticancer properties while marine sponges contain structurally diverse amides, alkaloids, terpenes, and steroids with cytotoxic, antiviral, and antimicrobial activities. The habitats of these organisms affect both the chemical components and their biological properties. These findings are encouraging and may be used in the development of new pharmaceuticals.

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Section: Marine Nps (Mnps)mentioning

confidence: 99%

Chemical diversity and therapeutic potentialities of seaweeds and marine sponges collected from the Red Sea: An update

Abdelrahman,

Mohsen,

Ghareeb

et al. 2023

J Appl Pharm Sci

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“…Taking in account the crucial role of SARS-CoV-2 (COVID-19 pandemic) and Zika main protases (Mpro) as infecting keys, alongside with the potent antiviral activities of the (MNPs) under examination, and as a part of our continuous program for identifying physiologically active marine natural products [80][81][82][83][84][85] with potential antiviral leads [86-89], herein we report a comprehensive virtual screening of 39 lamellarins pyrrole derive marine alkaloids (LPAs) against SARS-CoV-2 and Zika main proteases (Mpro) using an integrated set of advanced computational and bioinformatics tools including (MDock), (MD) simulations and (SARs).…”

Section: Severe Acute Respiratorymentioning

confidence: 99%

Investigating the Antiviral Therapeutic Potentialities of Marine Polycyclic Lamellarin Pyrrole Alkaloids as Promising Inhibitors for SARS-CoV-2 and Zika Main Proteases (Mpro)

Pereira

Bedda

Tammam

et al. 2022

Preprint

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The new coronavirus variant (SARS-CoV-2) and Zika virus are two worldwide health pandemics which outbreak borders and causing significant health difficulties, severe economic problems, and disturbing people’s daily life globally. Although many forms of preventative vaccines have been discovered and approved as protective manipulations alongside several orally available medications to stop the viral explosion, parallel competent antivirals are vitally needed to compete these viruses and their forms. Along history, naturally occurring organic chemicals have always crucially recognized as a main source of valuable medications. Taking into consideration the SARS-CoV-2 and Zika main proteases (Mpro) as the re-production key element of the viral cycle and its main target, herein we report an intensive computer-aided virtual screening for a focused list of 39 marine lamellarins pyrrole alkaloids, against SARS-CoV-2 and Zika main proteases (Mpro) using a set of combined modern computational methodologies including molecular docking (MDock), molecule dynamic simulations (MDS) and structure-activity relationships (SARs) as well. Indeed, the molecular docking studies had revealed four promising marine alkaloids including [lamellarin H (14)/lamellarin K (17)] and [lamellarin S (26)/ lamellarin Z (39)], according to their notable ligand-protein energy scores and relevant binding affinities with the SARS-CoV-2 and Zika (Mpro) pocket residues, respectively. Consequentially, these four chemical hits were further examined thermodynamically though investigating their MD simulations at 100 ns, where they showed prominent stability within the accommodated (Mpro) pockets. Moreover, in-deep SARs studies suggested the crucial roles of the rigid fused polycyclic ring system, particularly aromatic A- and F- rings, position of the phenolic -OH and -lactone functionalities as essential structural and pharmacophoric characteristics for an effective protein ligand interaction against SARS-CoV-2 and Zika Mpro, respectively. These motivating outcomes are greatly recommending further in vitro/vivo examinations regarding those marine derived compounds and their synthetic congeners, opening the gate to identify clinically useful antivirals based or bio-inspired from lamellarins pyrrole alkaloids (LPAs).

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“…Continuing our ongoing strategy for identifying potential bioactive lead compounds derived from marine natural products (El-Demerdash et al, 2019;El-Demerdash, Metwaly, et al, 2021;El-Demerdash et al, 2020;Tammam et al, 2023), herein we investigate the antiviral potentialities of 14 laulimalide-containing macrolides (LMM) utilizing comprehensive virtual screening against SARS-CoV-2 main protease (Mpro).…”

Section: Introductionmentioning

confidence: 99%

Investigating the Structure-Activity Relationship of Laulimalides Marine Macrolides as Promising Inhibitors for SARS-CoV-2 Main Protease (Mpro)

Elgohary

Elfiky

Pereira

et al. 2023

Preprint

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SARS-CoV-2, the new coronavirus variant is a world-wide health crisis. Over spans of human history, preparations derived from natural products have always been recognized as a preliminary source of medications. Taking into account the SARS-CoV-2 main protease (Mpro) as the essential element of the viral cycle and as a main target, herein we highlight a computer-aided comprehensive virtual screening for a focused chemical list of 14 laulimalides marine macrolides against SARS-CoV-2 main protease (Mpro) using a set of integrated modern computational techniques including molecular docking (MDock), molecule dynamic simulations (MDS) and structure-activity relationships (SARs) as well. Indeed, computational studies had disclosed two promising macrolides [laulimalides LA4 (6) and LA18 (13)] based on their remarkable ligand-protein energy scores and relevant binding affinities with the SARS-CoV-2 (Mpro) pocket residues. Consequentially, the two compounds were further investigated thermodynamically though deciphering their MD simulations at 100 ns, where they showed noticeable stability within the accommodated (Mpro) pockets. Moreover, in-deep SARs studies suggested the crucial roles of the C-23 subistituted side chain and the C-20 methoxy as essential pharmacophoric structural features for activity. Such interesting outcomes are highly recommending further in vitro/vivo examinations regarding those marine macrolides and open a gate towards developing more effective antivirals drug leads.

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Crambescidin Acid from the French Polynesian Monanchora n. sp. Marine Sponge

Cited by 3 publications

References 26 publications

Chemical diversity and therapeutic potentialities of seaweeds and marine sponges collected from the Red Sea: An update

Chemical diversity and therapeutic potentialities of seaweeds and marine sponges collected from the Red Sea: An update

Investigating the Antiviral Therapeutic Potentialities of Marine Polycyclic Lamellarin Pyrrole Alkaloids as Promising Inhibitors for SARS-CoV-2 and Zika Main Proteases (Mpro)

Investigating the Structure-Activity Relationship of Laulimalides Marine Macrolides as Promising Inhibitors for SARS-CoV-2 Main Protease (Mpro)

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