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Exploring and Expanding Horizons in Secondary Metabolites: Biosynthesis, Identification, Regulation...
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Exploring and Expanding Horizons in Secondary Metabolites: Biosynthesis, Identification, Regulation and Biological Activity

A special issue of Metabolites (ISSN 2218-1989). This special issue belongs to the section "Pharmacology and Drug Metabolism".

Deadline for manuscript submissions: 30 November 2025 | Viewed by 3312

Special Issue Editors

Dr. Alberto Jorge Oliveira Lopes

E-Mail Website
Guest Editor
Graduate Program in Chemistry, Federal Institute of Education, Science, and Technology of Maranhão, São Luis 65030-005, MA, Brazil
Interests: medicinal chemistry; natural products; bioinformatics; biological activity
Special Issues, Collections and Topics in MDPI journals
Dr. Antônio Cantanhede Filho

E-Mail Website
Guest Editor
Laboratório de Extração e Cromatografia, Instituto Federal de Educação, Ciência e Tecnologia do Maranhão, Campus Monte Castelo, São Luís 65030-005, MA, Brazil
Interests: metabolic routes; endophytic fungi; Isolation; identification; secondary metabolites; plants and microorganisms
Dr. Claúdia Quintino Da Rocha

E-Mail Website
Guest Editor
Laboratory of Chemistry of Natural Products, Department of Chemistry, Federal University of Maranhão, São Luís 65080-805, Brazil
Interests: LC-MS; NMR; isolation; natural products; antioxidant; antiproliferative; mass spectrometry

Special Issue Information

Dear Colleagues,

The exploration of secondary metabolites is a leading area of scientific research, covering topics from plant defense to therapeutic and biotechnological uses. This Special Issue of Metabolites, titled "Exploring and Expanding Horizons in Secondary Metabolites: Biosynthesis, Identification, Regulation and Biological Activity", aims to expand the study focus to the chemical variety present in microorganisms, marine organisms, and animals.

We welcome original research articles, reviews, and short communications focusing on biosynthetic pathways, regulatory mechanisms, and identification methods of complex chemical compounds. Research on the biological effects, medicinal properties, and environmental significance of secondary metabolites in different organisms is highly recommended. We aim to emphasize recent discoveries that expand our comprehension of the significance of secondary metabolites outside the realm of plant studies.

This Special Issue aims to encourage interdisciplinary discussions on secondary metabolite research in plants, microbial sciences, marine biology, and animal studies to reveal universal principles and potential applications of these metabolites. It also aims to advance basic science and facilitate new applications in health, agriculture, and environmental sustainability by compiling cutting-edge research on the biosynthesis, identification, regulation, and biological activity of secondary metabolites.

We welcome contributions that explore the complexity and potential of secondary metabolites, promoting interdisciplinary and cross-species approaches. 

Dr. Alberto Jorge Oliveira Lopes
Dr. Antônio José Cantanhede Filho
Dr. Claúdia Quintino Da Rocha
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 submissions that pass pre-check are 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. Metabolites 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 2700 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

  • secondary metabolites
  • biosynthesis
  • regulation
  • identification
  • plants
  • microorganisms
  • marine organisms
  • animals
  • bioactivity
  • drug discovery
  • natural products

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Further information on MDPI's Special Issue policies can be found here.

Published Papers (2 papers)

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Research

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14 pages, 4295 KiB  
Article
LC-MS/MS-Based Determination and Optimization of Linoleic Acid Oxides in Baijiu and Their Variation with Storage Time
by Cheng Fang, Xiaotong Zhuang, Zhanguo Li, Yongfang Zou, Jizhou Pu, Dong Wang and Yan Xu
Metabolites 2025, 15(4), 246; https://doi.org/10.3390/metabo15040246 - 2 Apr 2025
Viewed by 353
Abstract
Background: Post-production storage plays a pivotal role in developing the characteristic flavor profile of Baijiu, a traditional alcoholic beverage in China. While aging markers remain crucial for quality authentication, the identification of reliable metabolic indicators for chronological determination requires further exploration. [...] Read more.
Background: Post-production storage plays a pivotal role in developing the characteristic flavor profile of Baijiu, a traditional alcoholic beverage in China. While aging markers remain crucial for quality authentication, the identification of reliable metabolic indicators for chronological determination requires further exploration. Methods: This study establishes a novel liquid chromatography-tandem mass spectrometry (LC-MS/MS) methodology for quantifying five linoleic acid-derived oxidative metabolites in Baijiu: 9,12,13-trihydroxy-10(E)-octadecenoic acid (9,12,13-TriHOME), 9,10-Dihydroxy-12-octadecenoic acid (9,10-DiHOME), 9-oxo-(10E,12Z)-octadecadienoic acid (9-OxoODE), 9-hydroxy-(10E,12Z)-octadecadienoic acid (9-HODE) and 13-hydroxyoctadeca-(9Z,11E)-octadecadienoic acid (13-HODE). Results: The optimized protocol demonstrated exceptional sensitivity with limits of detection at 0.4 ppb through membrane-filtered direct dilution. Calibration curves exhibited excellent linearity (R2 > 0.9990) across 1.0–100.0 ppb ranges. Method validation revealed satisfactory recovery rates (87.25–119.44%) at three spiking levels (10/20/50 ppb) with precision below 6.96% RSD. Application to authentic samples showed distinct temporal accumulation patterns. Light-aroma Baijiu exhibited storage duration-dependent increases in all five oxides. Strong aroma variants demonstrated significant positive correlations for 9,12,13-TriHOME, 9,10-DiHOME, and 9-OxoODE with aging time. Conclusions: These findings systematically characterize linoleic acid oxidation products as potential aging markers, providing both methodological advancements and new insights into Baijiu aging mechanisms. Full article
(This article belongs to the Special Issue Exploring and Expanding Horizons in Secondary Metabolites: Biosynthesis, Identification, Regulation and Biological Activity)
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Review

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18 pages, 1555 KiB  
Review
Computational Applications: Beauvericin from a Mycotoxin into a Humanized Drug
by Charbel Al Khoury, Sima Tokajian, Nabil Nemer, Georges Nemer, Kelven Rahy, Sergio Thoumi, Lynn Al Samra and Aia Sinno
Metabolites 2024, 14(4), 232; https://doi.org/10.3390/metabo14040232 - 18 Apr 2024
Cited by 1 | Viewed by 2279
Abstract
Drug discovery was initially attributed to coincidence or experimental research. Historically, the traditional approaches were complex, lengthy, and expensive, entailing costly random screening of synthesized compounds or natural products coupled with in vivo validation largely depending on the availability of appropriate animal models. [...] Read more.
Drug discovery was initially attributed to coincidence or experimental research. Historically, the traditional approaches were complex, lengthy, and expensive, entailing costly random screening of synthesized compounds or natural products coupled with in vivo validation largely depending on the availability of appropriate animal models. Currently, in silico modeling has become a vital tool for drug discovery and repurposing. Molecular docking and dynamic simulations are being used to find the best match between a ligand and a molecule, an approach that could help predict the biomolecular interactions between the drug and the target host. Beauvericin (BEA) is an emerging mycotoxin produced by the entomopathogenic fungus Beauveria bassiana, being originally studied for its potential use as a pesticide. BEA is now considered a molecule of interest for its possible use in diverse biotechnological applications in the pharmaceutical industry and medicine. In this manuscript, we provide an overview of the repurposing of BEA as a potential therapeutic agent for multiple diseases. Furthermore, considerable emphasis is given to the fundamental role of in silico techniques to (i) further investigate the activity spectrum of BEA, a secondary metabolite, and (ii) elucidate its mode of action. Full article
(This article belongs to the Special Issue Exploring and Expanding Horizons in Secondary Metabolites: Biosynthesis, Identification, Regulation and Biological Activity)
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