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Metabolites
Special Issues
Mass Spectrometry-Based Metabolomics as Tools in Pharmaceutical and Biological Analysis
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Mass Spectrometry-Based Metabolomics as Tools in Pharmaceutical and Biological Analysis

A special issue of Metabolites (ISSN 2218-1989). This special issue belongs to the section "Metabolomic Profiling Technology".

Deadline for manuscript submissions: closed (15 November 2022) | Viewed by 4646

Special Issue Editor

Dr. Hsiaowei Liao

E-Mail Website
Guest Editor
Department of pharmacy, National Yang-Ming University Taiwan, Taipei, Taiwan
Interests: liquid chromatography; capillary electrophoresis; mass spectrometry; pharmaceutical analysis; metabolomics; lipidomics
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

We invite you to submit research to this Special Issue of Metabolites focused on “Mass Spectrometry-based Metabolomics as Tools in Pharmaceutical and Biological Analysis.” The development of reliable mass spectrometry-based metabolomics workflows is a crucial mission in pharmaceutical and biomedical analyses. With the fast progression of sample pretreatment methods, novel separation and detection technologies, and data analysis pipelines, the metabolomics strategy would benefit researchers in terms of helping them discover metabolites in complicated biological samples and reveal associated metabolic networks behind diseases and medications. The improvement of mass spectrometry-based metabolomics would accelerate pharmaceutical and biological research.

This Special Issue seeks novel research contributions in, but not limited to, the following areas:

  • Innovative analytical methods and pipelines for metabolomics or lipidomics.
  • Biological and pharmaceutical applications of metabolomics or lipidomics.

We welcome and look forward to your submissions.

Dr. Hsiaowei Liao
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 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
  • Pharmaceutical analysis
  • Biological analysis
  • Clinical analysis

Published Papers (2 papers)

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Research

19 pages, 9004 KiB  
Article
Structural Diversity, LC-MS-MS Analysis and Potential Biological Activities of Brevibacillus laterosporus Extract
by Muhammad Zayed, Islam M. El-Garawani, Sabha M. El-Sabbagh, Bassem Amr, Sultan M. Alsharif, Ahmed A. Tayel, Mohamed F. AlAjmi, Hasnaa M. S. Ibrahim, Qiyang Shou, Shaden A. M. Khalifa, Hesham R. El-Seedi and Nora Elfeky
Metabolites 2022, 12(11), 1102; https://doi.org/10.3390/metabo12111102 - 11 Nov 2022
Cited by 6 | Viewed by 2054
Abstract
Lake Mariout is Egypt’s degraded coastal marine habitat that encompasses a variety of wastes. The biodiversity and hard environmental conditions allow the co-existence of organisms with high resistance and rich metabolism, making them potential candidates for screening and isolating novel microbial strains. A [...] Read more.
Lake Mariout is Egypt’s degraded coastal marine habitat that encompasses a variety of wastes. The biodiversity and hard environmental conditions allow the co-existence of organisms with high resistance and rich metabolism, making them potential candidates for screening and isolating novel microbial strains. A bacterial isolate (BF202) cultured from the marine sediments of Alexandria’s Mariout Lake (Egypt) was tested for its antimicrobial and anticancer potential. The phylogenetic analysis of the isolated strain’s 16S rDNA and gyrB revealed that BF202 belongs to Brevibacillus laterosporus (B. laterosporus). Antibiosis of B. laterosporus was confirmed against microbial pathogens including Escherichia coli, Klebsiella pneumoniae, Salmonella typhi, and Staphylococcus aureus. The highest antibacterial activity was detected on glucose peptone medium after 18 h of incubation at 35 °C, and at pH of 7.0 in the presence of mannose and ammonium carbonate as carbon and nitrogen sources, respectively. The cytotoxicity of the methanolic extract against breast cancer (MCF-7) and normal Vero cell lines, using the MTT test, revealed IC50 values of 7.93 and 23.79 µg/mL, respectively. To identify apoptotic and necrotic cells, a flow cytometric analysis using annexin V-FITC/PI dual-labeling was utilized and recorded a higher number of necrotic cells compared to apoptotic ones. Similarly, the cell cycle S-phase arrest was reported. The LC-MS-MS investigation of B. laterosporus extract and the molecular networking database analysis demonstrated five strategic diketopiperazine compounds with antimicrobial and anticancer activities. Taken together, this research shows that the crude extract of B. laterosporus might be an effective agent against drug-resistant bacteria and malignant disorders due to its richness in diketopiperazines. Full article
(This article belongs to the Special Issue Mass Spectrometry-Based Metabolomics as Tools in Pharmaceutical and Biological Analysis)
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15 pages, 3008 KiB  
Article
Molecular Network-Based Identification of Tramadol Metabolites in a Fatal Tramadol Poisoning
by Romain Magny, Nicolas Auzeil, Bertrand Lefrère, Bruno Mégarbane, Pascal Houzé and Laurence Labat
Metabolites 2022, 12(7), 665; https://doi.org/10.3390/metabo12070665 - 19 Jul 2022
Cited by 13 | Viewed by 2037
Abstract
Identification of xenobiotics and their phase I/II metabolites in poisoned patients remains challenging. Systematic approaches using bioinformatic tools are needed to detect all compounds as exhaustively as possible. Here, we aimed to assess an analytical workflow using liquid chromatography coupled to high-resolution mass [...] Read more.
Identification of xenobiotics and their phase I/II metabolites in poisoned patients remains challenging. Systematic approaches using bioinformatic tools are needed to detect all compounds as exhaustively as possible. Here, we aimed to assess an analytical workflow using liquid chromatography coupled to high-resolution mass spectrometry with data processing based on a molecular network to identify tramadol metabolites in urine and plasma in poisoned patients. The generated molecular network from liquid chromatography coupled to high-resolution tandem mass spectrometry data acquired in both positive and negative ion modes allowed for the identification of 25 tramadol metabolites in urine and plasma, including four methylated metabolites that have not been previously reported in humans or in vitro models. While positive ion mode is reliable for generating a network of tramadol metabolites displaying a dimethylamino radical in their structure, negative ion mode was useful to cluster phase II metabolites. In conclusion, the combined use of molecular networks in positive and negative ion modes is a suitable and robust tool to identify a broad range of metabolites in poisoned patients, as shown in a fatal tramadol-poisoned patient. Full article
(This article belongs to the Special Issue Mass Spectrometry-Based Metabolomics as Tools in Pharmaceutical and Biological Analysis)
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