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Natural Products: Phytochemical Analysis & Pharmacological Evaluation
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Natural Products: Phytochemical Analysis & Pharmacological Evaluation

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

Deadline for manuscript submissions: closed (15 January 2024) | Viewed by 10083

Special Issue Editors

Dr. Marcos Soto-Hernández

E-Mail Website
Guest Editor
Colegio de Postgraduados, Campus Montecillo, Km. 36.5, Carretera México-Texcoco, Montecillo, Texcoco 56230, Mexico
Interests: phytochemistry; natural product chemistry; biological activity
Dr. Gerardo Cebrián-Torrejón

E-Mail Website
Co-Guest Editor
Laboratory COVACHIM-M2E, University of Antilles, CEDEX, 97157 Pointe-à-Pitre, France
Interests: ethnopharmacology; chemical ecology; medicinal chemistry; green chemistry

Special Issue Information

Dear Colleagues,

The phytochemical analysis of natural products has been an important tool not only from a chemical point of view but also as a guide for the validation of their pharmacological activity. This Special Issue “Natural Products: Phytochemical Analysis & Pharmacological Evaluation” will present a collection of papers related to the phytochemical analysis of natural products from live organisms (plants, microorganisms, marine organisms, insects, etc.) in addition to their pharmacological evaluation.

At present, the natural products are receiving increasing interest from many fields of knowledge; as such, your expertise on this topic could contribute to enhancing the interest in this important thematic issue.

We cordially invite researchers working in this field to contribute original research articles, short communications, and critical review articles. Short papers on single compounds are also welcome.

Dr. Marcos Soto-Hernández
Dr. Gerardo Cebrián-Torrejón
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. 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 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

  • phytochemistry
  • natural products
  • biological activity
  • alkaloids
  • phenolics
  • terpenoids
  • sulfur compounds
  • nonprotein amino acids
  • glucosinolates

Published Papers (4 papers)

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Research

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15 pages, 936 KiB  
Article
Antibacterial Activity and Untargeted Metabolomics Profiling of Acalypha arvensis Poepp
by Valendy Thesnor, Roland Molinié, Ryland T. Giebelhaus, A. Paulina de la Mata Espinosa, James J. Harynuk, David Bénimélis, Bérénice Vanhoye, Catherine Dunyach-Rémy, Muriel Sylvestre, Yvens Cheremond, Patrick Meffre, Gerardo Cebrián-Torrejón and Zohra Benfodda
Molecules 2023, 28(23), 7882; https://doi.org/10.3390/molecules28237882 - 30 Nov 2023
Viewed by 890
Abstract
The search for potent antimicrobial compounds is critical in the face of growing antibiotic resistance. This study explores Acalypha arvensis Poepp. (A. arvensis), a Caribbean plant traditionally used for disease treatment. The dried plant powder was subjected to successive extractions using [...] Read more.
The search for potent antimicrobial compounds is critical in the face of growing antibiotic resistance. This study explores Acalypha arvensis Poepp. (A. arvensis), a Caribbean plant traditionally used for disease treatment. The dried plant powder was subjected to successive extractions using different solvents: hexane (F1), dichloromethane (F2), methanol (F3), a 50:50 mixture of methanol and water (F4), and water (F5). Additionally, a parallel extraction was conducted using a 50:50 mixture of methanol and chloroform (F6). All the fractions were evaluated for their antimicrobial activity, and the F6 fraction was characterized using untargeted metabolomics using SPME-GC×GC-TOFMS. The extracts of A. arvensis F3, F4, and F5 showed antibacterial activity against Staphylococcus aureus ATCC 25923 (5 mg/mL), MRSA BA22038 (5 mg/mL), and Pseudomonas aeruginosa ATCC 27853 (10 mg/mL), and fraction F6 showed antibacterial activity against Staphylococcus aureus ATCC 29213 (2 mg/mL), Escherichia coli ATCC 25922 (20 mg/mL), Pseudomonas aeruginosa ATCC 27853 (10 mg/mL), Enterococcus faecalis ATCC 29212 (10 mg/mL), Staphylococcus aureus 024 (2 mg/mL), and Staphylococcus aureus 003 (2 mg/mL). Metabolomic analysis of F6 revealed 2861 peaks with 58 identified compounds through SPME and 3654 peaks with 29 identified compounds through derivatization. The compounds included methyl ester fatty acids, ethyl ester fatty acids, terpenes, ketones, sugars, amino acids, and fatty acids. This study represents the first exploration of A. arvensis metabolomics and its antimicrobial potential, providing valuable insights for plant classification, phytochemical research, and drug discovery. Full article
(This article belongs to the Special Issue Natural Products: Phytochemical Analysis & Pharmacological Evaluation)
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20 pages, 5749 KiB  
Article
Multicomponent Characterization of the Flower Bud of Panax notoginseng and Its Metabolites in Rat Plasma by Ultra-High Performance Liquid Chromatography/Ion Mobility Quadrupole Time-of-Flight Mass Spectrometry
by Xiaonan Yang, Ying Xiong, Hongda Wang, Meiting Jiang, Xiaoyan Xu, Yueguang Mi, Jia Lou, Xiaohang Li, He Sun, Yuying Zhao, Xue Li and Wenzhi Yang
Molecules 2022, 27(24), 9049; https://doi.org/10.3390/molecules27249049 - 19 Dec 2022
Cited by 5 | Viewed by 1492
Abstract
The flower bud of Panax notoginseng (PNF) consumed as a tonic shows potential in the prevention and treatment of cardiovascular diseases. To identify the contained multi-components and, in particular, to clarify which components can be absorbed and what metabolites are transformed, unveiling the [...] Read more.
The flower bud of Panax notoginseng (PNF) consumed as a tonic shows potential in the prevention and treatment of cardiovascular diseases. To identify the contained multi-components and, in particular, to clarify which components can be absorbed and what metabolites are transformed, unveiling the effective substances of PNF is of vital significance. A unique ultrahigh-performance liquid chromatography/ion mobility quadrupole time-of-flight mass spectrometry (UHPLC/IM-QTOF-MS) profiling approach and efficient data processing by the UNIFITM bioinformatics platform were employed to comprehensively identify the multi-components of PNF and the related metabolites in the plasma of rats after oral administration (at a dose of 3.6 g/kg). Two MS2 data acquisition modes operating in the negative electrospray ionization mode, involving high-definition MSE (HDMSE) and data-dependent acquisition (DDA), were utilized aimed to extend the coverage and simultaneously ensure the quality of the MS2 spectra. As a result, 219 components from PNF were identified or tentatively characterized, and 40 thereof could be absorbed. Moreover, 11 metabolites were characterized from the rat plasma. The metabolic pathways mainly included the phase I (deglycosylation and oxidation). To the best of our knowledge, this is the first report that systematically studies the in vivo metabolites of PNF, which can assist in better understanding its tonifying effects and benefit its further development. Full article
(This article belongs to the Special Issue Natural Products: Phytochemical Analysis & Pharmacological Evaluation)
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17 pages, 3559 KiB  
Article
Allicin Alleviates Diabetes Mellitus by Inhibiting the Formation of Advanced Glycation End Products
by Linzehao Li, Qinghe Song, Xiandang Zhang, Yan Yan and Xiaolei Wang
Molecules 2022, 27(24), 8793; https://doi.org/10.3390/molecules27248793 - 12 Dec 2022
Cited by 5 | Viewed by 1691
Abstract
Advanced glycation end products (AGEs) cause damage to pancreatic β-cells and trigger oxidative stress and inflammation, which promotes the development and progression of diabetes and its complications. Therefore, it is important to inhibit the formation of AGEs as part of the treatment of [...] Read more.
Advanced glycation end products (AGEs) cause damage to pancreatic β-cells and trigger oxidative stress and inflammation, which promotes the development and progression of diabetes and its complications. Therefore, it is important to inhibit the formation of AGEs as part of the treatment of diabetes. Allicin is a natural antimicrobial agent with abundant pharmacological activities, and recent studies have reported its therapeutic effects in diabetes; however, the mechanism of these therapeutic effects is still unclear. Thus, the purpose of this study was to further investigate the association between allicin treatment of diabetes and AGEs. First, we established a streptozocin (STZ)-induced diabetic rat model and treated the rats with allicin for six weeks. We measured glycolipid metabolism, AGE levels, receptor of advanced glycation end products (RAGE) levels, oxidative stress, and other related indicators. The results showed that allicin improved blood glucose and body weight, reduced lipid accumulation, and inhibited AGE formation in rats. Treatment with allicin also inhibited RAGEs and thereby prevented AGE activity, which, in turn, alleviated oxidative stress and promoted insulin secretion. To further verify the effect of allicin on AGEs, we also performed in vitro nonenzymatic glycation simulation experiments. These results showed that allicin inhibited the production of AGEs by suppressing the production of AGEs intermediates. Thus, our research suggests that allicin may alleviate diabetes by inhibiting the formation of AGEs and reducing RAGE levels to relieve oxidative stress and promote insulin secretion. Full article
(This article belongs to the Special Issue Natural Products: Phytochemical Analysis & Pharmacological Evaluation)
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Review

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12 pages, 7051 KiB  
Review
MS/MS-Based Molecular Networking: An Efficient Approach for Natural Products Dereplication
by Guo-Fei Qin, Xiao Zhang, Feng Zhu, Zong-Qing Huo, Qing-Qiang Yao, Qun Feng, Zhong Liu, Gui-Min Zhang, Jing-Chun Yao and Hong-Bao Liang
Molecules 2023, 28(1), 157; https://doi.org/10.3390/molecules28010157 - 24 Dec 2022
Cited by 10 | Viewed by 4983
Abstract
Natural products (NPs) have historically played a primary role in the discovery of small-molecule drugs. However, due to the advent of other methodologies and the drawbacks of NPs, the pharmaceutical industry has largely declined in interest regarding the screening of new drugs from [...] Read more.
Natural products (NPs) have historically played a primary role in the discovery of small-molecule drugs. However, due to the advent of other methodologies and the drawbacks of NPs, the pharmaceutical industry has largely declined in interest regarding the screening of new drugs from NPs since 2000. There are many technical bottlenecks to quickly obtaining new bioactive NPs on a large scale, which has made NP-based drug discovery very time-consuming, and the first thorny problem faced by researchers is how to dereplicate NPs from crude extracts. Remarkably, with the rapid development of omics, analytical instrumentation, and artificial intelligence technology, in 2012, an efficient approach, known as tandem mass spectrometry (MS/MS)-based molecular networking (MN) analysis, was developed to avoid the rediscovery of known compounds from the complex natural mixtures. Then, in the past decade, based on the classical MN (CLMN), feature-based MN (FBMN), ion identity MN (IIMN), building blocks-based molecular network (BBMN), substructure-based MN (MS2LDA), and bioactivity-based MN (BMN) methods have been presented. In this paper, we review the basic principles, general workflow, and application examples of the methods mentioned above, to further the research and applications of these methods. Full article
(This article belongs to the Special Issue Natural Products: Phytochemical Analysis & Pharmacological Evaluation)
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