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Special Issue "Innovative Marine Molecules: Chemistry, Biology and Analysis"

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Food Chemistry".

Deadline for manuscript submissions: 31 March 2022.

Special Issue Editors

Dr. Sérgio Sousa
E-Mail Website
Guest Editor
Universidade Católica Portuguesa, CBQF—Centro de Biotecnologia e Química Fina—Laboratório Associado, Escola Superior de Biotecnologia, Porto, Portugal
Interests: microalgae; lipids; marine bioactives; biotechnology; probiotics; prebiotics; microencapsulation; food science and technology; functional foods
Prof. Dr. Ana Gomes
E-Mail Website
Guest Editor
CBQF - Centro de Biotecnologia e Química Fina – Laboratório Associado, Escola Superior de Biotecnologia, Rua Diogo Botelho 1327, 4169-005 Porto, Portugal
Interests: live biotherapeutics; beneficial microorganims; probiotics; microencapsulation
Special Issues, Collections and Topics in MDPI journals
Dr. Ana P. Carvalho
E-Mail Website1 Website2
Guest Editor
CBQF—Centro de Biotecnologia e Química Fina—Laboratório Associado, Escola Superior de Biotecnologia, Universidade Católica Portuguesa, Porto, Portugal
Interests: by-product valorisation; green extraction processes; functional ingredients; marine bioactive lipids; microalgae; omega-3 fatty acids
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Currently, the world population stands at 7.9 billion and the resources available to support the needs and feed such numbers are growing shorter. As ca. 71% of planet Earth is covered by water, 96.5% of which is contained in oceans, the marine environment is being increasingly explored to substitute, and also complement, the conventional sources of a panoply of compounds and molecules. It is also being explored as a source of innovative molecules that may be used in areas that range from food, supplements and pharmaceuticals, to cosmetics, agrofertilizers and fuel.

The diversity of compounds that can be found in marine resources is extraordinary, and recent research has focused on many different molecules, such as carbohydrates, proteins, lipids, pigments, vitamins, among others, which may be found in a multitude of organisms such as macroalgae, microalgae, fish, mollusks and crustaceans.

In light of this, the present Special Issue aims to collect and compile recent research (in the form of original research articles and reviews) within the scope of food chemistry, regarding either sources or final objectives, and in relation to innovative marine molecules in terms of their chemical and biological natures as well as their analysis.

Dr. Sérgio Sousa
Prof. Dr. Ana Gomes
Dr. Ana P. Carvalho
Guest Editors

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. Molecules is an international peer-reviewed open access semimonthly 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 2300 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

  • food (product)
  • marine molecules
  • chemical structure
  • isolation
  • purification
  • characterization
  • bioactivity
  • mechanism of action
  • analysis methods

Published Papers (2 papers)

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Research

Article
New Carbonic Anhydrase-II Inhibitors from Marine Macro Brown Alga Dictyopteris hoytii Supported by In Silico Studies
Molecules 2021, 26(23), 7074; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules26237074 - 23 Nov 2021
Viewed by 349
Abstract
In continuation of phytochemical investigations of the methanolic extract of Dictyopteris hoytii, we have obtained twelve compounds (112) through column chromatography. Herein, three compounds, namely, dimethyl 2-bromoterepthalate (3), dimethyl 2,6-dibromoterepthalate (4), and (E)-3-(4-(dimethoxymethyl)phenyl) [...] Read more.
In continuation of phytochemical investigations of the methanolic extract of Dictyopteris hoytii, we have obtained twelve compounds (112) through column chromatography. Herein, three compounds, namely, dimethyl 2-bromoterepthalate (3), dimethyl 2,6-dibromoterepthalate (4), and (E)-3-(4-(dimethoxymethyl)phenyl) acrylic acid (5) are isolated for the first time as a natural product, while the rest of the compounds (1, 2, 612) are known and isolated for the first time from this source. The structures of the isolated compounds were elucidated by advanced spectroscopic 1D and 2D NMR techniques including 1H, 13C, DEPT, HSQC, HMBC, COSY, NEOSY, and HR-MS and comparison with the reported literature. Furthermore, eight compounds (1320) previously isolated by our group from the same source along with the currently isolated compounds (112) were screened against the CA-II enzyme. All compounds, except 6, 8, 14, and 17, were evaluated for in vitro bovine carbonic anhydrase-II (CA-II) inhibitory activity. Eventually, eleven compounds (1, 4, 5, 7, 9, 10, 12, 13, 15, 18, and 19) exhibited significant inhibitory activity against CA-II with IC50 values ranging from 13.4 to 71.6 μM. Additionally, the active molecules were subjected to molecular docking studies to predict the binding behavior of those compounds. It was observed that the compounds exhibit the inhibitory potential by specifically interacting with the ZN ion present in the active site of CA-II. In addition to ZN ion, two residues (His94 and Thr199) play an important role in binding with the compounds that possess a carboxylate group in their structure. Full article
(This article belongs to the Special Issue Innovative Marine Molecules: Chemistry, Biology and Analysis)
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Article
Mollusc-Derived Brominated Indoles for the Selective Inhibition of Cyclooxygenase: A Computational Expedition
Molecules 2021, 26(21), 6538; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules26216538 - 29 Oct 2021
Cited by 1 | Viewed by 535
Abstract
Inflammation plays an important role in different chronic diseases. Brominated indoles derived from the Australian marine mollusk Dicathais orbita (D. orbita) are of interest for their anti-inflammatory properties. This study evaluates the binding mechanism and potentiality of several brominated indoles (tyrindoxyl [...] Read more.
Inflammation plays an important role in different chronic diseases. Brominated indoles derived from the Australian marine mollusk Dicathais orbita (D. orbita) are of interest for their anti-inflammatory properties. This study evaluates the binding mechanism and potentiality of several brominated indoles (tyrindoxyl sulfate, tyrindoleninone, 6-bromoisatin, and 6,6′-dibromoindirubin) against inflammatory mediators cyclooxygenases-1/2 (COX-1/2) using molecular docking, followed by molecular dynamics simulation, along with physicochemical, drug-likeness, pharmacokinetic (pk), and toxicokinetic (tk) properties. Molecular docking identified that these indole compounds are anchored, with the main amino acid residues, positioned in the binding pocket of the COX-1/2, required for selective inhibition. Moreover, the molecular dynamics simulation based on root mean square deviation (RMSD), radius of gyration (Rg), solvent accessible surface area (SASA), and root mean square fluctuation (RMSF) analyses showed that these natural brominated molecules transit rapidly to a progressive constant configuration during binding with COX-1/2 and seem to accomplish a consistent dynamic behavior by maintaining conformational stability and compactness. The results were comparable to the Food and Drug Administration (FDA)-approved selective COX inhibitor, aspirin. Furthermore, the free energy of binding for the compounds assessed by molecular mechanics–Poisson–Boltzmann surface area (MM–PBSA) confirmed the binding capacity of indoles towards COX-1/2, with suitable binding energy values except for the polar precursor tyrindoxyl sulfate (with COX-1). The physicochemical and drug-likeness analysis showed zero violations of Lipinski’s rule, and the compounds are predicted to have excellent pharmacokinetic profiles. These indoles are projected to be non-mutagenic and free from hepatotoxicity, with no inhibition of human ether-a-go–go gene (hERG) I inhibitors, and the oral acute toxicity LD50 in rats is predicted to be similar or lower than aspirin. Overall, this work has identified a plausible mechanism for selective COX inhibition by natural marine indoles as potential therapeutic candidates for the mitigation of inflammation. Full article
(This article belongs to the Special Issue Innovative Marine Molecules: Chemistry, Biology and Analysis)
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