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The Structures, Syntheses of Natural Products, and Their Biological Effects

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Bioactives and Nutraceuticals".

Deadline for manuscript submissions: 20 January 2026 | Viewed by 2712

Special Issue Editor

Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, China
Interests: density functional theory; nanotechnology; materials; electronic structure; quantum mechanics; nanobiotechnology; computational chemistry
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The applications of natural products already have a long history of thousands of years; however, most cases were empirical summaries.  With the continuous progress of science and technology, people have begun to systematically study the structures and biological effects of natural products using scientific methods to understand their working mechanisms and obtain them in large quantities through artificial syntheses. Many natural medicinal molecules have special therapeutic effects in animals and plants.

As the most typical example, Artemisinin's discovery, extraction, and structural determination have significant implications for human public health, bringing Ms. Youyou Tu the Nobel Prize in 2015. With the deepening of research, other effects of Artemisinin have also been found, such as anti-tumor, treatment of pulmonary hypertension, anti-diabetes, antifungal, immune regulation, antiviral, anti-inflammatory, anti-pulmonary fibrosis, antibacterial, and other pharmacological effects. However, its chemical total synthesis process is so complex that it cannot be commercialized. Fortunately, the biosynthesis technology through yeast fermentation is becoming increasingly sophisticated. Similar efficient natural products also include (but are not limited to) organic acids, antimicrobial peptides, biological adhesives, and so on. The studies of their molecular structures, structure–activity relationships, and syntheses are of great scientific and economic significance.

Therefore, we are launching this Special Issue to specifically report on the latest research and reviews on the structures and syntheses of natural products and their biological effects. All article research submissions should involve research at the molecular level as well as verified experiments to fit the scope of the Special Issue.

Dr. Ran Jia
Guest Editor

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Keywords

  • structures of natural products
  • syntheses
  • biological effects
  • biomedical applications

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Published Papers (3 papers)

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Research

17 pages, 3477 KiB  
Article
A Combination of Resveratrol and Quercetin Prevents Sarcopenic Obesity: Its Role as a Signaling Inhibitor of Myostatin/ActRIIA and ActRIIB/Smad and as an Enhancer of Insulin Actions
by Agustina Cano-Martínez, Jimena Alejandra Méndez-Castro, Viviana Estefanía García-Vázquez, Elizabeth Carreón-Torres, Eulises Díaz-Díaz, María Sánchez-Aguilar, Vicente Castrejón-Téllez and María Esther Rubio-Ruíz
Int. J. Mol. Sci. 2025, 26(10), 4952; https://doi.org/10.3390/ijms26104952 - 21 May 2025
Viewed by 624
Abstract
Sarcopenic obesity (SO), characterized by an excess of fat and a decrease in muscle strength or mass, is a global public health concern and is linked to metabolic conditions such as metabolic syndrome (MetS). Different mechanisms contribute to SO, such as inflammation, fatty [...] Read more.
Sarcopenic obesity (SO), characterized by an excess of fat and a decrease in muscle strength or mass, is a global public health concern and is linked to metabolic conditions such as metabolic syndrome (MetS). Different mechanisms contribute to SO, such as inflammation, fatty acid infiltration, and insulin resistance (IR). Recently, myostatin (MYOST), an inhibitory factor for skeletal muscle tissue, was proposed as an aimed compound for the treatment of conditions of muscular metabolic imbalance mass and MetS. On the other hand, a therapy with natural compounds such as resveratrol (R) and quercetin (Q) is effective for the treatment of MetS, but its effect on the MYOST pathway has been poorly explored. The control group received water, and the MetS group received 30% commercial sugar in the drinking water for 6 months. Polyphenol mix (R at a dose of 50 mg/kg/day and Q at 0.95 mg/kg/day) was administered for 1 month. MetS rats present SO linked to an increase in the expression of MYOST/ActRIIA and ActRIIB (p < 0.0001). R+Q treatment prevented SO by lowering the expression of MYOST and its receptors and increased the expression of Smad 7 in MetS rats (p < 0.0001). Moreover, the polyphenol treatment reverted IR by increasing Akt phosphorylation, leading to an increase in muscle mass. It decreased lipid stores, restored glycogen accumulation, and increased myosin expression (p < 0.0001). The results of this work indicate that R+Q supplementation could be a promising therapeutic agent to prevent SO and sarcopenia derived from other metabolic alterations. Full article
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16 pages, 7019 KiB  
Article
Functional Characterization of 5-O-Glycosyltranferase Transforming 3-O Anthocyanins into 3,5-O Anthocyanins in Freesia hybrida
by Adnan, Tingting Bao, Xiang Zheng, Yicong Pang, Ruifang Gao, Xiaotong Shan, Shirui Zhu, Shadrack Kanyonji Kimani, Xiang Gao and Yueqing Li
Int. J. Mol. Sci. 2025, 26(10), 4542; https://doi.org/10.3390/ijms26104542 - 9 May 2025
Viewed by 303
Abstract
Floral coloration in Freesia hybrida is predominantly attributed to anthocyanins, with glycosylation playing a critical role in their stability and diversity. This study investigates the molecular mechanisms underlying color variation between F. hybrida cultivars, focusing on anthocyanin 5-O-glucosyltransferases (An5GTs). HPLC analysis [...] Read more.
Floral coloration in Freesia hybrida is predominantly attributed to anthocyanins, with glycosylation playing a critical role in their stability and diversity. This study investigates the molecular mechanisms underlying color variation between F. hybrida cultivars, focusing on anthocyanin 5-O-glucosyltransferases (An5GTs). HPLC analysis revealed that ‘Pink Passion’ petals accumulate 3,5-O-diglucosidic anthocyanins, absent in ‘Red River®’ and ‘Ambiance’. RNA-seq identified seven candidate Fh5GT genes, with phylogenetic and subcellular localization analyses confirming their classification as cytosolic glycosyltransferases. Expression profiling highlighted elevated transcript levels of Fh5GT1, Fh5GT3, and Fh5GT7 in ‘Pink Passion’, correlating with its di-glucosidic anthocyanin accumulation. In vitro enzymatic assays demonstrated that Fh5GT3 and Fh5GT7 preferentially glucosylate 3-O-monoglucosidic anthocyanins to form stable 3,5-O-diglucosides, with minimal activity on anthocyanidins to generate 5-O-glucosidic anthocyanins. Heterologous expression of Fh5GT3 and Fh5GT7 in Arabidopsis complemented anthocyanin deficiency in 5gt mutants, restoring pigmentation. These findings elucidate the potential role of 5GTs in modulating floral color diversity through anthocyanin modification, providing insights for targeted breeding strategies to enhance ornamental traits in horticultural species. Full article
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15 pages, 5792 KiB  
Article
Structural Characterization and Immune Activation Capacity of Peptidoglycan from Corynebacterium glutamicum in RAW264.7 Cells
by Xiaoying Wang, Shuzhen Li, Aijuan Zheng, Zhimin Chen, Jiang Chen, Zhiheng Zou and Guohua Liu
Int. J. Mol. Sci. 2025, 26(1), 237; https://doi.org/10.3390/ijms26010237 - 30 Dec 2024
Viewed by 1079
Abstract
Peptidoglycan (PGN) is a unique component of prokaryotic cell walls with immune-enhancing capacities. Here, we extracted PGN from Corynebacterium glutamicum, a by-product of amino acid fermentation, using the trichloroacetic acid (TCA) method. SDS-PAGE analysis confirmed the presence of PGN, with a band [...] Read more.
Peptidoglycan (PGN) is a unique component of prokaryotic cell walls with immune-enhancing capacities. Here, we extracted PGN from Corynebacterium glutamicum, a by-product of amino acid fermentation, using the trichloroacetic acid (TCA) method. SDS-PAGE analysis confirmed the presence of PGN, with a band of approximately 28 kDa. Further analysis was conducted through amino acid analysis, FTIR, and MALDI-TOF/TOF MS, and the results showed that the chemical structural monomer of PGN is NAG-(β-1,4-)-NAM-l-Ala-d-Glu-l-Lis-d-Ala. The immune activation effects of PGN were evaluated in a RAW264.7 cell model. Our results showed that PGN could increase the secretion level of NO, ROS, and immune regulatory substances, including TNF-α and IL-1β, and up-regulated the mRNA expression of TNF-α and iNOS. In addition, PGN stimulated the expression of ERK2, MyD88, RIP2, and the related receptor NOD1 in the NF-κB and MAPK pathways. Comparative RNA sequencing was conducted to analyze the gene expression profiles in RAW264.7 cells. KEGG analysis indicated that most of the genes were enriched in the NF-κB, MAPK, and TNF signaling pathways. Taken together, these findings suggest that PGN may have immune-activating potential for the development and application of immune adjuvants. Importantly, the application of PGN also provides a new way to utilize amino acid fermentation by-products. Full article
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