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Metabolites
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Metabolomics in Natural Products
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Metabolomics in Natural Products

A special issue of Metabolites (ISSN 2218-1989). This special issue belongs to the section "Advances in Metabolomics".

Deadline for manuscript submissions: closed (28 February 2023) | Viewed by 6795

Special Issue Editors

Dr. Hamidreza Ardalani

E-Mail Website
Guest Editor
Centre for Analysis and Synthesis, Department of Chemistry, Lund University, 22100 Lund, Sweden
Interests: mass spectrometry; metabolomics; lipidomics; natural product chemistry; drug discovery; pharmacokinetics; computational analysis development
Dr. Peter Spégel

E-Mail Website
Guest Editor
Department of Chemistry, Centre for Analysis and Synthesis, Lund University, Lund, Sweden
Interests: metabolomics; mass spectrometry; chromatography; diabetes; metabolism

Special Issue Information

Dear Colleagues,

Natural products derived from plants, microorganisms, and animals are a key source of inspiration for the development of new drugs. Plants’ secondary metabolites have been used since ancient times for the treatment of several diseases and illnesses. However, understanding the complexity of chemical constituents and the effects, mechanisms of actions, absorption, distribution, metabolism, and excretion (ADME) requires state-of-the-art analytical techniques. Metabolomics is one of the latest omics technologies that has emerged as a pioneering technique in natural product discovery. This Special Issue aims to highlight recent advancements in mass spectrometry and NMR-based metabolomics in natural product chemistry. Specific areas include but are not limited to bioactivity (in vitro and in vivo), multi-omics approaches, food chemistry, pharmacokinetics, agricultural aspects, quality control, method development, and chemical elucidation of natural products. High-quality articles, including original research, short communications, and reviews, are welcome.

Dr. Hamidreza Ardalani
Dr. Peter Spégel
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

  • metabolomics
  • mass spectrometry 
  • secondary metabolites
  • metabolism
  • mass-spectrometry-based metabolomics 
  • NMR-based metabolomics 
  • food chemistry

Published Papers (3 papers)

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Research

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21 pages, 4455 KiB  
Article
Comparative LC-ESIMS-Based Metabolite Profiling of Senna italica with Senna alexandrina and Evaluating Their Hepatotoxicity
by Elaheh Zibaee, Maryam Akaberi, Zahra Tayarani-Najaran, Karel Nesměrák, Martin Štícha, Naghmeh Shahraki, Behjat Javadi and Seyed Ahmad Emami
Metabolites 2023, 13(4), 559; https://doi.org/10.3390/metabo13040559 - 13 Apr 2023
Cited by 1 | Viewed by 1703
Abstract
Senna Mill. (Fabaceae) is an important medicinal plant distributed worldwide. Senna alexandrina (S. alexandrina), the officinal species of the genus, is one of the most well-known herbal medicines traditionally used to treat constipation and digestive diseases. Senna italica (S. italica [...] Read more.
Senna Mill. (Fabaceae) is an important medicinal plant distributed worldwide. Senna alexandrina (S. alexandrina), the officinal species of the genus, is one of the most well-known herbal medicines traditionally used to treat constipation and digestive diseases. Senna italica (S. italica), another species of the genus, is native to an area ranging from Africa to the Indian subcontinent, including Iran. In Iran, this plant has been used traditionally as a laxative. However, very little phytochemical information and pharmacological reports investigating its safety of use are available. In the current study, we compared LC-ESIMS metabolite profiles of the methanol extract of S. italica with that of S. alexandrina and measured the content of sennosides A and B as the biomarkers in this genus. By this, we were able to examine the feasibility of using S. italica as a laxative agent like S. alexandrina. In addition, the hepatotoxicity of both species was evaluated against HepG2 cancer cell lines using HPLC-based activity profiling to localize the hepatotoxic components and evaluate their safety of use. Interestingly, the results showed that the phytochemical profiles of the plants were similar but with some differences, particularly in their relative contents. Glycosylated flavonoids, anthraquinones, dianthrones, benzochromenones, and benzophenones constituted the main components in both species. Nevertheless, some differences, particularly in the relative amount of some compounds, were observed. According to the LC-MS results, the amounts of sennoside A in S. alexandrina and S. italica were 1.85 ± 0.095% and 1.00 ± 0.38%, respectively. Moreover, the amounts of sennoside B in S. alexandrina and S. italica were 0.41 ± 0.12 % and 0.32 ± 0.17%, respectively. Furthermore, although both extracts showed significant hepatotoxicity at concentrations of 50 and 100 µg/mL, they were almost non-toxic at lower concentrations. Taken together, according to the results, the metabolite profiles of S. italica and S. alexandrina showed many compounds in common. However, further phytochemical, pharmacological, and clinical studies are necessary to examine the efficacy and safety of S. italica as a laxative agent. Full article
(This article belongs to the Special Issue Metabolomics in Natural Products)
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24 pages, 3579 KiB  
Article
Metabolomic Strategies to Improve Chemical Information from OSMAC Studies of Endophytic Fungi
by Fernanda Motta Ribeiro da Silva, Gecele Matos Paggi, Flávia Roberta Brust, Alexandre José Macedo and Denise Brentan Silva
Metabolites 2023, 13(2), 236; https://doi.org/10.3390/metabo13020236 - 05 Feb 2023
Cited by 4 | Viewed by 2077
Abstract
Metabolomics strategies are important tools to get holistic chemical information from a system, but they are scarcely applied to endophytic fungi to understand their chemical profiles of biosynthesized metabolites. Here Penicillium sp. was cultured using One Strain Many Compounds (OSMAC) conditions as a [...] Read more.
Metabolomics strategies are important tools to get holistic chemical information from a system, but they are scarcely applied to endophytic fungi to understand their chemical profiles of biosynthesized metabolites. Here Penicillium sp. was cultured using One Strain Many Compounds (OSMAC) conditions as a model system to demonstrate how this strategy can help in understanding metabolic profiles and determining bioactive metabolites with the application of metabolomics and statistical analyses, as well as molecular networking. Penicillium sp. was fermented in different culture media and the crude extracts from mycelial biomass (CEm) and broth (CEb) were obtained, evaluated against bacterial strains (Staphylococcus aureus and Pseudomonas aeruginosa), and the metabolomic profiles by LC-DAD-MS were obtained and chemometrics statistical analyses were applied. The CEm and CEb extracts presented different chemical profiles and antibacterial activities; the highest activities observed were against S. aureus from CEm (MIC = 16, 64, and 128 µg/mL). The antibacterial properties from the extracts were impacted for culture media from which the strain was fermented. From the Volcano plot analysis, it was possible to determine statistically the most relevant features for the antibacterial activity, which were also confirmed from biplots of PCA as strong features for the bioactive extracts. These compounds included 75 (13-oxoverruculogen isomer), 78 (austalide P acid), 87 (austalide L or W), 88 (helvamide), 92 (viridicatumtoxin A), 96 (austalide P), 101 (dihydroaustalide K), 106 (austalide k), 110 (spirohexaline), and 112 (pre-viridicatumtoxin). Thus, these features included diketopiperazines, meroterpenoids, and polyketides, such as indole alkaloids, austalides, and viridicatumtoxin A, a rare tetracycline. Full article
(This article belongs to the Special Issue Metabolomics in Natural Products)
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Review

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8 pages, 778 KiB  
Review
Identification of Plant-Derived Bioactive Compounds Using Affinity Mass Spectrometry and Molecular Networking
by Thabo Ramatapa, Anathi Msobo, Pfano W. Maphari, Efficient N. Ncube, Noluyolo Nogemane and Msizi I. Mhlongo
Metabolites 2022, 12(9), 863; https://doi.org/10.3390/metabo12090863 - 14 Sep 2022
Cited by 4 | Viewed by 2048
Abstract
Affinity selection-mass spectrometry (AS-MS) is a label-free binding assay system that uses UHPLC-MS size-based separation methods to separate target-compound complexes from unbound compounds, identify bound compounds, classify compound binding sites, quantify the dissociation rate constant of compounds, and characterize affinity-extracted ligands. This label-free [...] Read more.
Affinity selection-mass spectrometry (AS-MS) is a label-free binding assay system that uses UHPLC-MS size-based separation methods to separate target-compound complexes from unbound compounds, identify bound compounds, classify compound binding sites, quantify the dissociation rate constant of compounds, and characterize affinity-extracted ligands. This label-free binding assay, in contrast to conventional biochemical (i.e., high-throughput screening (HTS)) approaches, is applicable to any drug target, and is also concise, accurate, and adaptable. Although AS-MS is an innovative approach for identifying lead compounds, the possibilities of finding bioactive compounds are limited by competitive binding, which occurs during the equilibration of extracts with the target protein(s). Here, we discuss the potential for metabolite profiling complemented with molecular networking to be used alongside AS-MS to improve the identification of bioactive compounds in plant extracts. AS-MS has gained significant prominence in HTS labs and shows potential to emerge as the driving force behind novel drug development in the future. Full article
(This article belongs to the Special Issue Metabolomics in Natural Products)
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