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Synthesis and Activity of Natural Products and Analogues

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: 31 December 2026 | Viewed by 679

Editor

Department of Industrial Plant Science and Technology, Chungbuk National University, Cheongju 361-763, Republic of Korea
Interests: natural product

Special Issue Information

Dear Colleagues,

Natural products are a key source of bioactive compounds for both medicine and nutrition. Their structural diversity provides inspiration for new drugs and functional foods. Recent advances in synthesis and discovery of target compound or its derivatives using a big database such as GNPS or COCONUT now allow efficient access to complex natural scaffolds and the creation of analogues with improved stability, bioavailability, and activity. In addition to large databases, advanced mass spectrometry software such as MZmine or MS-DIAL, MassQL further accelerates the analysis of bioactive compounds in complex matrices. This Special Issue, “Synthesis and Activity of Natural Products and Analogues”, highlights recent progress in this field.

The Special Issue covers diverse classes of natural products, including alkaloids, flavonoids, terpenoids, and polyketides. Furthermore, it highlights applications not only in treating cancer, inflammation, and infections but also in enhancing antioxidant defense, metabolic regulation, and gut health through functional foods. Collectively, these contributions demonstrate how chemical innovation and biological evaluation continue to expand the impact of natural products.

Dr. Jin-pyo An
Guest Editor

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Keywords

  • natural products
  • functional food
  • synthesis
  • high-resolution mass spectrometry
  • bioactive compound

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Published Papers (1 paper)

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Research

26 pages, 12365 KB  
Article
Chlorination of Phenethyl Isothiocyanate Potentiates Cytotoxicity and Apoptosis in Multidrug-Resistant Leukemia Cells
by Alberto Yoldi Vergara, Anna Bertova, Szilvia Kontar, Martina Ksinanova, Kristina Simonicova, Martin Simkovic, Zdena Sulova, Albert Breier and Denisa Imrichova
Int. J. Mol. Sci. 2026, 27(13), 5869; https://doi.org/10.3390/ijms27135869 - 29 Jun 2026
Viewed by 365
Abstract
In medicinal chemistry, halogen substitution is often used to enhance the biological activity of anticancer compounds. Phenethyl isothiocyanate (PEITC), a natural compound found in cruciferous vegetables, exhibits anti-cancer activity by modulating oxidative stress and apoptosis-related pathways. This study compared the effects of PEITC [...] Read more.
In medicinal chemistry, halogen substitution is often used to enhance the biological activity of anticancer compounds. Phenethyl isothiocyanate (PEITC), a natural compound found in cruciferous vegetables, exhibits anti-cancer activity by modulating oxidative stress and apoptosis-related pathways. This study compared the effects of PEITC and its chlorinated derivative, Cl-PEITC, on human leukemia cell lines, including multidrug-resistant (MDR) variants that overexpress P-glycoprotein (P-gp). We evaluated cell viability, apoptosis, reactive oxygen species (ROS) production, the modulation of the NRF2/KEAP1 signaling pathway, NF-κB p65 protein expression, DNA fragmentation, and autophagy in SKM-1, MOLM-13 and their MDR variants SKM/VCR and MOLM/VCR cells. Cl-PEITC exhibited stronger antiproliferative and cytotoxic effects than PEITC in all tested cell lines and maintained similar activity in P-gp-positive resistant cells. In contrast, resistant sublines showed reduced sensitivity to PEITC. Cl-PEITC induced higher ROS production and enhanced apoptosis, accompanied by the activation of caspases-3, -8, and -9 and PARP1 cleavage. It also caused more pronounced DNA fragmentation. Both PEITC and Cl-PEITC modulated autophagy-related markers, as demonstrated by increased LC3-II/LC3-I conversion and decreased p62 protein levels. In addition, these compounds modulated NRF2/KEAP1 and reduced NF-κB p65 expression in a concentration-dependent manner. These findings suggest that the chlorination of PEITC enhances its antileukemic activity and could retain its efficacy against P-gp-associated MDR. Full article
(This article belongs to the Special Issue Synthesis and Activity of Natural Products and Analogues)
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