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Extraction and Analysis of New Bioactive Compounds Derived from Natural Products, 2nd Edition

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

Deadline for manuscript submissions: 30 September 2025 | Viewed by 2809

Special Issue Editors

Dr. Irinel Adriana Badea

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Guest Editor
Department of Analytical Chemistry and Physical Chemistry, Faculty of Chemistry, University of Bucharest, 030018 Bucharest, Romania
Interests: separation sciences; HPLC; HPLC-MS; GC-MS; spectrometry; NMR; IR; pharmaceutical analysis; electrochemistry
Special Issues, Collections and Topics in MDPI journals
Dr. Rodica Olar

E-Mail Website
Guest Editor
Department of Inorganic and Organic Chemistry, Biochemistry and Catalysis, Faculty of Chemistry, University of Bucharest, 050663 Bucharest, Romania
Interests: coordination chemistry; biological active species (organic, inorganic, and hybrid); characterization methods (ESI-MS, NMR, IR, EPR, X-ray diffraction)
Special Issues, Collections and Topics in MDPI journals
Dr. Magdalena Mititelu

E-Mail Website
Guest Editor
Department of Clinical Laboratory and Food Safety, Faculty of Pharmacy, Carol Davila University of Medicine and Pharmacy, 020956 Bucharest, Romania
Interests: nutrition; food safety; food technology; biotechnology; pharmaceutical research and development; dosage form development; pharmaceutical analysis; clinical biochemistry
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Natural products have been used for a very long time as food supplements and drugs. To date, according to the WHO, more than 80% of countries have developed treatments based on traditional medicine, which employs phytochemical compounds, and almost 70000 species have been tested for their biological properties. These studies reveal the huge advantage of using compounds derived from natural products, relying on their safety and broad efficiency to treat diseases. Thus, they present real competition to synthetic molecules.

Under these circumstances, the assessment of new compounds from natural products derived from terrestrial or marine plants and animals represents a continuous area of interest. Thus, new extraction and analytical methodologies that fit the requirement of green chemistry should be encouraged in order to obtain not only valuable extracts but also, most importantly, standardized ones. Despite the rewarding utilization of these natural products, the interest in them has decreased in recent years; therefore, it is high time that this field is revitalized.

Thus, this Special Issue will be devoted to the extraction and analysis of new bioactive compounds derived from natural products.

Dr. Irinel Adriana Badea
Dr. Rodica Olar
Dr. Magdalena Mititelu
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

  • phytochemicals
  • natural products
  • traditional medicine
  • liquid–liquid extraction
  • hydro distillation and steam distillation
  • solid-phase extraction
  • Soxhlet extraction
  • pressurized liquid extraction
  • supercritical fluid extraction
  • ultrasound-assisted extraction
  • microwave-assisted extraction
  • enzyme-assisted extraction
  • pulsed electric field extraction
  • HPLC
  • HPLC-MS
  • GC-MS
  • NMR
  • IR
  • in vitro assay
  • in vivo assay
  • antioxidant
  • anti-inflammatory
  • antimicrobial
  • antitumoral activity

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Related Special Issue

Published Papers (5 papers)

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Research

19 pages, 3340 KiB  
Article
Dynamic Variation of Secondary Metabolites from Polygonatum cyrtonema Hua Rhizomes During Repeated Steaming–Drying Processes
by Shuzhen Wang, Feng He, Ruibin Hu, Xuchun Wan, Wei Wu, Lei Zhang, Chi-Tang Ho and Shiming Li
Molecules 2025, 30(9), 1923; https://doi.org/10.3390/molecules30091923 - 25 Apr 2025
Viewed by 80
Abstract
Polygonati Rhizoma, widely used as a traditional functional food and herbal medicine, is well known for its health-promoting activities after the process of “nine cycles of steaming-drying”. Based on UPLC-MS/MS, 1369 secondary metabolites were identified in P. cyrtonema rhizomes, mainly alkaloids, amino acids [...] Read more.
Polygonati Rhizoma, widely used as a traditional functional food and herbal medicine, is well known for its health-promoting activities after the process of “nine cycles of steaming-drying”. Based on UPLC-MS/MS, 1369 secondary metabolites were identified in P. cyrtonema rhizomes, mainly alkaloids, amino acids and derivatives, flavonoids, organic acids, phenolic acids, and saccharides. The P. cyrtonema rhizomes were rich in xylose, arabinose, glucose, sorbose, mannose, galactose, rhamnose, inositol, fucose, sedoheptulose, phosphorylated monosaccharides, sugar acid, and sugar alcohols. Particularly, 23 types of modifications were detected for amino acids, while the most frequent modifications were acetylation, methylation (nono-, di-, and tri-), cyclo-, homo-, and hydroxylation. Based on the metabolic profile, samples from the third cycle (Tre-3) and the sixth cycle (Tre-6) were firstly clustered together due to similar metabolites and then grouped with samples from the ninth cycle (Tre-9). Differentially accumulated metabolites were mainly enriched in “Metabolic pathways”, “Biosynthesis of cofactors”, “Biosynthesis of secondary metabolites”, “Flavonoid biosynthesis”, “Purine metabolism”, “ABC transporters”, “Biosynthesis of amino acids”, and “Nucleotide metabolism” pathways. During repeated steaming–drying processes, 39 metabolites occurred, including alkaloids, amino acids and derivatives, flavonoids, lignans and coumarins, lipids, nucleotides and derivatives, organic acids, phenolic acids, and terpenoids. This research will provide a critical scientific basis for postharvest processing of P. cyrtonema rhizomes. Full article
(This article belongs to the Special Issue Extraction and Analysis of New Bioactive Compounds Derived from Natural Products, 2nd Edition)
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23 pages, 8387 KiB  
Article
Phytochemical Profile, Antioxidant Capacity and Anticancer Potential of Water Extracts from In Vitro Cultivated Salvia aethiopis
by Krasimira Tasheva, Inna Sulikovska, Ani Georgieva, Vera Djeliova, Vesela Lozanova, Anelia Vasileva, Ivaylo Ivanov, Petko Denev, Maria Lazarova, Valya Vassileva and Polina Petkova-Kirova
Molecules 2025, 30(7), 1427; https://doi.org/10.3390/molecules30071427 - 23 Mar 2025
Viewed by 390
Abstract
Salvia aethiopis L. (Mediterranean sage) is a medicinal plant known for its rich phenolic content and different therapeutic properties. This study evaluated the phytochemical composition, antioxidant capacity and anticancer potential of water extracts from in vitro cultivated S. aethiopis. The extract exhibited [...] Read more.
Salvia aethiopis L. (Mediterranean sage) is a medicinal plant known for its rich phenolic content and different therapeutic properties. This study evaluated the phytochemical composition, antioxidant capacity and anticancer potential of water extracts from in vitro cultivated S. aethiopis. The extract exhibited a high total polyphenol (110.03 ± 0.7 mg GAE/g) and flavonoid (7.88 ± 0.25 mg QE/g) content, along with a strong oxygen radical absorbance capacity (an ORAC value of 3677.9 ± 24.8 µmol TE/g). LC-HRMS analysis identified 21 bioactive compounds, including salvianic acid C, rosmarinic acid, salvianolic acid K and various organic acids. A cytotoxicity evaluation using the Neutral Red Uptake assay showed that the extract had a low toxicity to non-cancerous BALB/3T3 cells. An antiproliferative activity assessment via the MTT assay revealed selective cytotoxicity against Hep G2 hepatocellular carcinoma cells (IC50 = 353.8 ± 21.8 µg/mL) and lung (A549) and prostate (PC-3) carcinoma cell lines. Migration assays and cytopathological evaluations confirmed the significant inhibition of cancer cell proliferation, the suppression of migration and G2/M cell cycle arrest. Flow cytometry revealed considerable increases in apoptotic and necrotic cell populations following treatment with S. aethiopis extract. These findings showed the potential of S. aethiopis as a promising source of bioactive compounds with antioxidant and anticancer properties, supporting its further exploration for therapeutic applications. Full article
(This article belongs to the Special Issue Extraction and Analysis of New Bioactive Compounds Derived from Natural Products, 2nd Edition)
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22 pages, 1915 KiB  
Article
Sugarcane Straw Hemicellulose Extraction by Autohydrolysis for Cosmetic Applications
by Maria João Pereira, Sílvia S. Pedrosa, Joana R. Costa, Maria João Carvalho, Tânia Neto, Ana L. Oliveira, Manuela Pintado and Ana Raquel Madureira
Molecules 2025, 30(6), 1208; https://doi.org/10.3390/molecules30061208 - 7 Mar 2025
Viewed by 527
Abstract
Sugarcane is a popular crop whose cultivation generates a wide range of by-products. The aim was to optimize the hydrothermal extraction of hemicellulose from sugarcane straw using response-surface methods with a two-factor composite design and to assess its functional qualities. Three process parameters [...] Read more.
Sugarcane is a popular crop whose cultivation generates a wide range of by-products. The aim was to optimize the hydrothermal extraction of hemicellulose from sugarcane straw using response-surface methods with a two-factor composite design and to assess its functional qualities. Three process parameters were subject to optimization: solid/liquid ratio (1:6–1:18), temperature (143–186 °C), and extraction time (20–60 min). A xylooligosaccharide (XOS)-enriched extract was characterized regarding its chemical composition, molecular weight, and antioxidant and antimicrobial potential. The optimized extraction yield was 24.46 g/100 g of straw with a polymerization degree of 17.40. Both hemicellulose and XOS demonstrated notable antioxidant properties, with antioxidant effects of 73% and 85%, respectively. Regarding skin enzyme activity, hemicellulose inhibited elastase by more than 50%, while XOS showed no significant effect. However, both extracts exhibited collagenase (MMP1) inhibition comparable to the positive control. In terms of production feasibility, the estimated costs were 130.5 EUR/kg for hemicellulose and 272.5 EUR/kg for XOS. Overall, the optimized XOS-enriched sugarcane straw extract demonstrated promising anti-aging, antioxidant, and preservative properties, highlighting its potential for cosmetic applications. Full article
(This article belongs to the Special Issue Extraction and Analysis of New Bioactive Compounds Derived from Natural Products, 2nd Edition)
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12 pages, 3471 KiB  
Article
Tocotrienols in Different Parts of Wild Hypericum perforatum L. Populations in Poland
by Paweł Górnaś and Edyta Symoniuk
Molecules 2025, 30(5), 1137; https://doi.org/10.3390/molecules30051137 - 2 Mar 2025
Viewed by 668
Abstract
St. John’s wort (Hypericum perforatum L.) is a well-known medicinal plant widely used in phytotherapy due to its abundant secondary metabolites with bioactive properties. Research on tocochromanols conducted in nine populations of St. John’s wort using reverse-phase high performance liquid chromatography with [...] Read more.
St. John’s wort (Hypericum perforatum L.) is a well-known medicinal plant widely used in phytotherapy due to its abundant secondary metabolites with bioactive properties. Research on tocochromanols conducted in nine populations of St. John’s wort using reverse-phase high performance liquid chromatography with fluorescent light detector (RP-HPLC-FLD) has provided new insights into their diverse composition in different aerial parts of the plant. Flower buds displayed the most diverse tocochromanol profile, while stems contained the lowest levels of these compounds. In most of the examined tissues, δ-T3 was the predominant tocochromanol (34–69%), except in leaves, where α-T dominated. The highest concentration of total tocotrienols was recorded in flower buds (48.5–74.1 mg/100 g dry weight), with δ-T3 (56%) and α-T3 (38%) as the dominant compounds. The highest δ-T3 content was found in unripe seed pods (29.6–45.1 mg/100 g dw). Principal Component Analysis (PCA) revealed distinct differences in tocochromanol composition among the aerial parts of H. perforatum. The findings highlight that H. perforatum has higher potential applications in the food, pharmaceutical, and medical industries than previously assumed, due to its relatively high content of tocotrienols, mainly δ-T3, in different plant organs. Full article
(This article belongs to the Special Issue Extraction and Analysis of New Bioactive Compounds Derived from Natural Products, 2nd Edition)
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15 pages, 1354 KiB  
Article
Tocotrienols in Eleven Species of Hypericum Genus Leaves
by Danija Lazdiņa, Inga Mišina and Paweł Górnaś
Molecules 2025, 30(3), 662; https://doi.org/10.3390/molecules30030662 - 2 Feb 2025
Cited by 8 | Viewed by 688
Abstract
Saint John’s worts or goatweeds are mostly perennial flowering plants in the Hypericaceae family, formerly under the Clusiaceae family. Teas and macerations of the plants are common in traditional medicines and modern depression and cancer therapies. The most notable bioactive compounds in Hypericum [...] Read more.
Saint John’s worts or goatweeds are mostly perennial flowering plants in the Hypericaceae family, formerly under the Clusiaceae family. Teas and macerations of the plants are common in traditional medicines and modern depression and cancer therapies. The most notable bioactive compounds in Hypericum are hyperforin and hypericin. While Hypericum contains a variety of carotenoid and phenolic compounds, which are well documented, there is little available information on tocopherols and almost none on tocotrienols. Considering the frequency of tocotrienol derivatives in Clusiaceae species, this study investigates and reports the presence of tocotrienols in eleven Hypericum species’ leaves: H. hircinum, H. hookerianum, H. calycinum, H. xylosteifolium, H. densifolium, H. prolificum, H. kalmianum, H. frondosum, H. olympicum, and two hybrids: H. × moserianum and H × ‘Rowallane’. Eight tocopherol and tocotrienol forms (α, β, γ, δ) were detected in the leaves, predominantly containing α-tocopherol. Tocotrienol content was most significant in Myriandra section species and was highest in H. prolificum (22.90 ± 0.63 mg 100 g−1), while the highest tocotrienol proportion was observed in H. × ‘Rowallane’ (54.12% of total tocochromanols) and H. prolificum (37.27% of total tocochromanols). The results demonstrated significant tocochromanol accumulation in Hypericum leaves. Full article
(This article belongs to the Special Issue Extraction and Analysis of New Bioactive Compounds Derived from Natural Products, 2nd Edition)
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