Special Issue "Structure–Activity Relationship of Marine Bioactive Compounds"

A special issue of Marine Drugs (ISSN 1660-3397).

Deadline for manuscript submissions: 20 December 2020.

Special Issue Editor

Prof. Dr. Carlos Jimenez
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Guest Editor
Departamento de Química, Facultade de Ciencias e Centro de Investigacións Científicas Avanzadas (CICA), Universidade da Coruña, 15071 A Coruña, Spain
Interests: marine natural products; isolation and structural elucidation; organic synthesis; biological activity; medicinal chemistry; bacterial iron uptake; siderophores
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Special Issue Information

Dear colleagues,

Marine organisms constitute a rich source of biologically active and chemically diverse natural products and serve as an invaluable resource in the ongoing search for novel bioactive compounds. A rational study provides information on the design of compounds or the understanding of the mechanism, or clarifies the discovery, design or optimization of new potent compounds as biological agents. The relationship between chemical structure and biological activity is related to the specific action of a bioactive marine natural product. For that reason, the determination of structure–activity relationships of these bioactive molecules is a crucial step in their development as a new drug, agrochemical, cosmetic or other application based on their activity. Studies on the influence on the bioactivity of the size, shape, and degree of ionization of bioactive Marine Natural Products is a topic of growing interest nowadays due to its potential applications with increased potency, greater selectivity, higher stability, and lower toxicity. Current research also focuses on the molecular modifications of reported series that lead to a significantly improved understanding of their structure–activity relationships. As Guest Editor of this Special Issue of Marine Drugs, I invite you to provide recent advances in all the aspects dealing with the structure–activity relationship of marine bioactive compounds.

Prof. Dr. Carlos Jimenez
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All papers will be peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Marine Drugs is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2000 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • Marine natural products
  • Biological activity
  • Drug discovery
  • Structure–activity relationships
  • Synthetic and natural analogs
  • Elucidation of pharmacophore
  • Biological action mechanism
  • Target protein on the bioactive substances
  • Quantitative structure–activity relationships (QSAR)
  • ADMET studies
  • Molecular modeling
  • Combinatorial chemistry

Published Papers (3 papers)

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Research

Open AccessArticle
Bioactivity of Spongian Diterpenoid Scaffolds from the Antarctic Sponge Dendrilla antarctica
Mar. Drugs 2020, 18(6), 327; https://doi.org/10.3390/md18060327 - 23 Jun 2020
Abstract
The Antarctic sponge Dendrilla antarctica is rich in defensive terpenoids with promising antimicrobial potential. Investigation of this demosponge has resulted in the generation of a small chemical library containing diterpenoid secondary metabolites with bioactivity in an infectious disease screening campaign focused on Leishmania [...] Read more.
The Antarctic sponge Dendrilla antarctica is rich in defensive terpenoids with promising antimicrobial potential. Investigation of this demosponge has resulted in the generation of a small chemical library containing diterpenoid secondary metabolites with bioactivity in an infectious disease screening campaign focused on Leishmania donovani, Plasmodium falciparum, and methicillin-resistant Staphylococcus aureus (MRSA) biofilm. In total, eleven natural products were isolated, including three new compounds designated dendrillins B–D (1012). Chemical modification of abundant natural products led to three semisynthetic derivatives (1315), which were also screened. Several compounds showed potency against the leishmaniasis parasite, with the natural products tetrahydroaplysulphurin-1 (4) and dendrillin B (10), as well as the semisynthetic triol 15, displaying single-digit micromolar activity and low mammalian cytotoxicity. Triol 15 displayed the best profile against the liver-stage malaria parasites, while membranolide (5) and dendrillin C (11) were strong hits against MRSA biofilm cultures. Full article
(This article belongs to the Special Issue Structure–Activity Relationship of Marine Bioactive Compounds)
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Open AccessArticle
In Vitro and In Vivo Assessment of the Efficacy of Bromoageliferin, an Alkaloid Isolated from the Sponge Agelas dilatata, against Pseudomonas aeruginosa
Mar. Drugs 2020, 18(6), 326; https://doi.org/10.3390/md18060326 - 23 Jun 2020
Abstract
The pyrrole-imidazoles, a group of alkaloids commonly found in marine sponges belonging to the genus Agelas, display a wide range of biological activities. Herein, we report the first chemical study of the secondary metabolites of the sponge A. dilatata from the coastal [...] Read more.
The pyrrole-imidazoles, a group of alkaloids commonly found in marine sponges belonging to the genus Agelas, display a wide range of biological activities. Herein, we report the first chemical study of the secondary metabolites of the sponge A. dilatata from the coastal area of the Yucatan Peninsula (Mexico). In this study, we isolated eight known alkaloids from an organic extract of the sponge. We used NMR and MS analysis and comparison with existing databases to characterize the alkaloids: ageliferin (1), bromoageliferin (2), dibromoageliferin (3), sceptrin (4), nakamuric acid (5), 4-bromo-1H-pyrrole-2-carboxylic acid (6), 4,5-dibromopyrrole-2-carboxylic acid (7) and 3,7-dimethylisoguanine (8). We also evaluated, for the first time, the activity of these alkaloids against the most problematic multidrug-resistant (MDR) pathogens, i.e., the Gram-negative bacteria Pseudomonas aeruginosa, Klebsiella pneumoniae and Acinetobacter baumannii. Bromoageliferin (2) displayed significant activity against P. aeruginosa. Comparison of the antibacterial activity of ageliferins 13 (of similar structure) against P. aeruginosa revealed some relationship between structure and activity. Furthermore, in in vitro assays, 2 inhibited growth and biofilm production in clinical strains of P. aeruginosa. Moreover, 2 increased the survival time in an in vivo Galleria mellonella model of infection. The findings confirm bromoageliferin (2) as a potential lead for designing new antibacterial drugs. Full article
(This article belongs to the Special Issue Structure–Activity Relationship of Marine Bioactive Compounds)
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Open AccessArticle
Transfer of the Neurotoxin β-N-methylamino-l-alanine (BMAA) in the Agro–Aqua Cycle
Mar. Drugs 2020, 18(5), 244; https://doi.org/10.3390/md18050244 - 06 May 2020
Abstract
The neurotoxic non-protein amino acid β-N-methylamino-l-alanine (BMAA) is connected to the development of neurodegenerative diseases. BMAA has been shown to accumulate in aquatic ecosystems, and filter-feeding molluscs seem particularly susceptible to BMAA accumulation. The blue mussels farmed along the [...] Read more.
The neurotoxic non-protein amino acid β-N-methylamino-l-alanine (BMAA) is connected to the development of neurodegenerative diseases. BMAA has been shown to accumulate in aquatic ecosystems, and filter-feeding molluscs seem particularly susceptible to BMAA accumulation. The blue mussels farmed along the Swedish coastline in the Baltic Sea are, due to their small size, exclusively used to produce feed for chicken and fish in the agro–aqua cycle. We have investigated the possible biotransfer of BMAA from mussels, via mussel-based feed, into chickens. Chickens were divided into two groups, the control and the treatment. BMAA was extracted from the muscle, liver, brain, and eye tissues in both chicken groups; a UPLC-MS/MS method was subsequently used to quantify BMAA. The results indicate detectable concentrations of BMAA in both chicken groups. However, the BMAA concentration in chicken was 5.65 times higher in the treatment group than the control group, with the highest concentration found in muscle tissue extracted from the treatment group chickens. These data suggest that there is a BMAA transfer route within the agro-aqua cycle, so further investigation is recommended before using mussel-based feed in the chicken industry. Full article
(This article belongs to the Special Issue Structure–Activity Relationship of Marine Bioactive Compounds)
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