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Advances in Extraction, Biological Activity of Natural Products and Their Derivatives

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

Deadline for manuscript submissions: 31 May 2026 | Viewed by 5502

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Special Issue Editors

Dr. Ernesto Santoro

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Guest Editor

Department of Applied and Basic Science, Università degli Studi della Basilicata, 85100 Potenza, PZ, Italy
Interests: absolute configuration; vibrational circular dichroism; electronic circular dichroism; optical rotation; stereochemistry; asymmetric synthesis; natural products; computational chemistry

Prof. Dr. Antonio Evidente

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Guest Editor

Institute of Biomolecular Chemistry, National Research Council, Via Campi Flegrei 34, 80078 Pozzuoli, Italy
Interests: natural bioactive substances; spectroscopy; isolation; structure determination; structure–activity relationships; mode of action
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Special Issue Information

Dear Colleagues,

The exploration of natural products has become increasingly significant in the quest for novel therapeutic agents and new biopesticides for application in agriculture, forests, and urban and historical gardens. Recent advances in extraction techniques, such as microwave-assisted extraction, supercritical fluid extraction, and ultrasonic extraction, have revolutionized the efficiency and selectivity of isolating bioactive compounds from natural sources. These innovative methods not only enhance yield, but also preserve the integrity of sensitive compounds, paving the way for a more sustainable approach to sourcing natural products.

Moreover, understanding the biological activity of these natural compounds and their derivatives is essential for their application in various fields, including medicine, agriculture, and cosmetics. Recent studies have highlighted the potential of natural products to exhibit antimicrobial, anti-inflammatory, antioxidant, antiviral, and anticancer properties, making them promising candidates for drug development. In particular, research has been focused on isolating compounds with new carbon skeletons to overcome the emergency linked to the development of resistance to antibiotics, as well as providing anticancer properties and resistance to synthetic pesticides to significantly reduce or completely eliminate the environmental pollution that affects climate change. The interplay between structure, in particular the absolute configuration, and biological activity offers a rich area for research, particularly in the context of optimizing these compounds through synthetic modifications and derivative synthesis on the basis of structure–activity relationship study results.

This Special Issue invites contributions that delve into the latest advancements in extraction methodologies, the assessment of biological activities, and the potential applications of natural products and their derivatives. We encourage researchers to share their insights on innovative extraction techniques, novel bioactive compounds, their mechanisms of action, and their absolute configuration assignment. By fostering collaboration and knowledge exchange, we aim to advance the field of natural product research and highlight the significance of these compounds in addressing contemporary health and environmental challenges.

We look forward to receiving your submissions that contribute to this exciting and rapidly evolving area of study.

Dr. Ernesto Santoro
Prof. Dr. Antonio Evidente
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 250 words) can be sent to the Editorial Office for assessment.

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Keywords

novel extraction
absolute configuration
supercritical fluid
microwave-assisted extraction
natural products

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Published Papers (6 papers)

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Research

20 pages, 1615 KB

Open AccessArticle

Angiogenesis Suppression via VEGF–VEGFR2 Inhibition and Stromal–Endothelial Crosstalk Disruption by Myrosinase-Activated Broccoli Extract

by Irina Naletova, Alfonsina La Mantia, Giuseppe Antonio Malfa, Simone Bianchi, Donata Arena, Valeria Di Domenico, Francesco Attanasio, Claudia Di Giacomo and Barbara Tomasello

Molecules 2026, 31(6), 1042; https://doi.org/10.3390/molecules31061042 - 20 Mar 2026

Viewed by 352

Abstract

Dysregulated angiogenesis is involved in cancer and numerous ischemic, autoimmune and inflammatory diseases, prompting extensive research that has yielded a growing array of angiogenesis-modulating molecules used in clinical practice. The dietary phytocomplex of Cruciferous vegetables exhibits multiple biological activities in both in vitro and in vivo models. However, the impact of a myrosinase-activated broccoli extract (MaBE) on angiogenesis, as well as on stromal–endothelial interactions governing endothelial cell behavior, has not yet been explored. We investigated the effects of MaBE on endothelial–stromal crosstalk using endothelial cells (HUVECs) and fibroblasts (HFF1) both individually and in a fibroblast-conditioned medium model. MaBE dose-dependently inhibited endothelial viability, migration and tube formation, key steps of angiogenesis, through interference with the VEGF–VEGFR2 axis. Notably, MaBE also markedly suppressed HFF1-driven HUVEC migration and capillary-like structure formation, likely through the inhibition of fibroblast motility and the downregulation of VEGF and angiogenin signaling in HFF1 cells. Overall, these findings provide new insight into MaBE regulation of pro-angiogenic behaviors in both endothelial cells and fibroblasts while disrupting their functional interplay. By targeting multiple cellular compartments and key mediators involved in angiogenesis, MaBE emerges as a promising bioactive extract with potential relevance for the management of pathological angiogenesis-related disorders. Full article

(This article belongs to the Special Issue Advances in Extraction, Biological Activity of Natural Products and Their Derivatives)

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20 pages, 1640 KB

Open AccessArticle

Cinnamon Bark Essential Oil as a Natural Plant Protection Agent: Chemical Profile, Antimicrobial Activity, and Defence Induction

by Elżbieta Gębarowska, Karolina Budek, Martyna Gębarowska, Anna Kmieć and Antoni Szumny

Molecules 2026, 31(6), 1036; https://doi.org/10.3390/molecules31061036 - 20 Mar 2026

Viewed by 358

Abstract

Ceylon cinnamon (Cinnamomum verum J. Presl) bark essential oil (CBO) represents a promising source of natural bioactive compounds for biological plant protection. For the first time, the antibacterial and antifungal activity of CBO was systematically evaluated against a curated panel of phytopathogenic strains (IOR collection), revealing broad-spectrum efficacy across both bacteria and filamentous pathogens. This study evaluated its chemical composition, antimicrobial activity against phytopathogens, effects on bacterial metabolic activity, and its ability to induce plant defence responses. CBO was dominated by cinnamaldehyde, linalool, and eucalyptol. The oil exhibited strong antibacterial activity against Dickeya dadantii, Pectobacterium carotovorum, Pseudomonas syringae, and Xanthomonas hortorum as well as antifungal activity against Fusarium graminearum, F. culmorum, Rhizoctonia solani and Phytophthora cinnamomi. Metabolic assays revealed a marked reduction in bacterial metabolic activity, indicating that CBO disrupts physiological processes and inhibits growth. In planta experiments showed that foliar application of CBO stimulated PAL activity in wheat leaves without visible phytotoxic symptoms. These findings demonstrate a multifunctional mode of action of CBO, combining direct antimicrobial effects with the elicitation of plant defence responses, and support its potential application in sustainable crop protection. Full article

(This article belongs to the Special Issue Advances in Extraction, Biological Activity of Natural Products and Their Derivatives)

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18 pages, 2106 KB

Open AccessArticle

Comparative Anticancer Activity of Extract, Partitions, and a Two-Acetogenin Mixture from Mexican Creole Avocado Seed

by Belinda Patricia Velázquez-Morales, Raúl Velasco-Azorsa, José Mayolo Simitrio Juárez-Goiz, Aurea Bernardino-Nicanor, Gabriel Betanzos-Cabrera, Gerardo Acosta-García, José Roberto Villagómez-Ibarra, José Antonio Morales-González and Carmen Valadez-Vega

Molecules 2026, 31(5), 858; https://doi.org/10.3390/molecules31050858 - 5 Mar 2026

Viewed by 434

Abstract

Creole avocado (Persea americana var. drymifolia) seeds are considered as biowaste; however, they constitute a rich source of bioactive compounds. The objective of this study was to evaluate the cytotoxic effect of extract, partitions, and acetogenin mixture from creole avocado seeds in SiHa cells and erythrocytes. Creole avocado seed extract was obtained using ethyl acetate (CASE), and subsequently partitioned into hexane (HP), ethyl acetate (EP), and butanol (BP). Acetogenin mixture (AM), composed of avocadene acetate and avocadyne acetate, was isolated from HP and structurally characterized. Total phenolic content, antioxidant capacity and cytotoxic effect of all samples were evaluated using SiHa cell line and human erythrocytes. BP exhibited the highest total phenol content with a value of 159.13 mg of gallic acid equivalents/g (mg GAE/g). Antioxidant capacity assessed by 2,2′-azino-bis-(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS•⁺) and 2,2-diphenyl-1-picrylhydrazyl (DPPH•) assays indicated that BP showed the greatest antioxidant capacity with values of 207.26 and 94.96 mg of Trolox equivalents antioxidant capacity/g (mg TEAC/g), respectively. AM demonstrated the highest cytotoxicity against SiHa cells at all exposure times, with half-maximal inhibitory concentration (IC₅₀) values ranging from 15.37 to 28.09 µg/mL. Half-maximal hemolytic concentration (HC₅₀) of all samples ranged from 107.39 to 160.26 µg/mL. AM, isolated from creole avocado seeds, showed the highest cytotoxic activity against SiHa cells, highlighting its potential as a promising bioactive compound for further investigation in cancer research. Full article

(This article belongs to the Special Issue Advances in Extraction, Biological Activity of Natural Products and Their Derivatives)

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13 pages, 2795 KB

Open AccessArticle

Fractionation of Saffron (Crocus sativus L.) Extract by Solid-Phase Extraction and Subsequent Encapsulation in Liposomes Prepared by Reverse-Phase Evaporation

by Fabrizio Ruggieri, Maria Anna Maggi, Francesca Commito, Federica Badia and Luisa Giansanti

Molecules 2025, 30(22), 4408; https://doi.org/10.3390/molecules30224408 - 14 Nov 2025

Viewed by 1185

Abstract

Saffron (Crocus sativus L.) is one of the most valued spices worldwide, rich in bioactive apocarotenoids such as crocins, picrocrocin, and safranal, which display antioxidant, neuroprotective, and anticancer properties. Saffron’s chemical composition is critical for its therapeutic efficacy and a combination of components appears essential to reach the best protection and increase tissue resilience, so stigmas were subjected to hydroalcoholic extraction followed by purification via solid-phase extraction to enriched crocin and picrocrocin fractions. The extracts were included in liposomes to enhance their bioavailability and gastrointestinal absorption by oral administration while protecting them in the harsh gastric environment, increasing their permeation and sustaining their release in the gastrointestinal tract. Liposomes were prepared by the reverse-phase evaporation method using saturated or unsaturated lipids extracted from soy. Encapsulation efficiency was determined by HPLC monitoring of trans-4GG crocin, cis-4GG crocin, and picrocrocin. The results indicate that liposomes show greater encapsulation capacity for hydrophilic apocarotenoids such as crocins (≈90% for cis-4GG, ≈50% for trans-4GG crocin) with respect to picrocrocins (<20%). These findings support the application of liposomal carriers to improve the stability, shelf-life, and potential bioavailability of saffron’s bioactive properties for nutraceutical, pharmaceutical, and functional food applications. Full article

(This article belongs to the Special Issue Advances in Extraction, Biological Activity of Natural Products and Their Derivatives)

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44 pages, 4335 KB

Open AccessArticle

Nanoencapsulated Dunaliella tertiolecta Extract and β-Carotene in Liposomal Carriers: Antioxidant and Erythroprotective Potential Through Sustained-Release Systems

by Jonathan García-Morales, Ricardo Iván González-Vega, Diana Fimbres-Olivarría, Ariadna Thalía Bernal-Mercado, Santiago Pedro Auobourg-Martínez, Karla Alejandra López-Gastélum, Silvia Elena Burruel-Ibarra, María Irene Silvas-García, Andrea Grijalva-Molina, José de Jesús Ornelas-Paz and Carmen Lizette Del-Toro-Sánchez

Molecules 2025, 30(19), 3924; https://doi.org/10.3390/molecules30193924 - 29 Sep 2025

Viewed by 936

Abstract

The nanoencapsulation of bioactive compounds such as β-carotene and microalgal extracts has emerged as an effective strategy to enhance their stability, bioavailability, and biological efficacy, particularly against oxidative stress. Dunaliella tertiolecta, a microalga rich in carotenoids and chlorophylls, presents notable antioxidant and erythroprotective properties; however, its bioactive potential is limited by low bioaccessibility and degradation during processing and digestion. This study aimed to develop and evaluate nanoliposomes loaded with D. tertiolecta extract and β-carotene as sustained-release systems to improve antioxidant performance and erythroprotective effects. The methodology involved optimizing microalgal cultivation under nitrogen and salinity stress to enhance pigment accumulation, followed by extraction, nanoencapsulation via the particle dispersion method, and physicochemical characterization of the nanoliposomes. Antioxidant capacity and release kinetics were assessed through ABTS and FRAP assays, while erythroprotective activity was evaluated by monitoring oxidative hemolysis in human erythrocytes. The release kinetics revealed an anomalous transport mechanism for both systems, with β-carotene showing faster and more efficient release due to its greater lipophilic compatibility with the nanoliposomal matrix. The nanoliposomal systems demonstrated nanoscale size, high encapsulation efficiency, sustained antioxidant release, and effective erythrocyte protection, with the extract-loaded formulation exhibiting synergistic effects superior to isolated β-carotene. These findings support the potential application of this nanotechnology-based delivery system in functional foods, nutraceuticals, and biomedical formulations aimed at preventing oxidative stress-related cellular damage. Full article

(This article belongs to the Special Issue Advances in Extraction, Biological Activity of Natural Products and Their Derivatives)

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12 pages, 1038 KB

Open AccessArticle

Extraction and Identification of the Bioactive Metabolites Produced by Curvularia inaequalis, an Endophytic Fungus Collected in Iran from Echium khuzistanicum Mozaff

by Maryam Besharati, Maria Letizia Ciavatta, Marianna Carbone, Nadia Cacciapuoti, Martina Aversa, Emanuela Roscetto, Stefany Castaldi, Giancarlo Perrone, Angela Boari, Katia Gialluisi, Maria Rosaria Catania, Sayed Ali Moosawi-Jorf and Antonio Evidente

Molecules 2025, 30(19), 3870; https://doi.org/10.3390/molecules30193870 - 24 Sep 2025

Cited by 1 | Viewed by 1412

Abstract

Endophytic fungi (EF) are microorganisms that colonize the internal tissues of host plants, providing a range of benefits to them. In this symbiosis, they act as a reservoir of bioactive metabolites that are important for enhancing the host’s defense mechanisms as a resistance against pathogens. These molecules usually possess antimicrobial properties that can be exploited for application in agriculture and medicine. In this context, the current work was designed to evaluate the phytotoxic and antimicrobial properties of the endophytic fungus Curvularia inaequalis, isolated for the first time from the Iranian medicinal plant Echium khuzistanicum. Culture filtrates, their organic extracts, and isolated metabolites were tested against a series of plants to assess their phytotoxicity, as well as against a wide range of plant and human pathogens to evaluate their antimicrobial activity. The main compounds characterizing the organic extract of C. inaequalis have been identified as (R)-phomalactone, catenioblin A, and (-) asperpentyn (1–3) by using spectroscopic techniques, NMR mainly, and HR-ESI-MS. In the bioactivity evaluation carried out in this study, (R)-phomalactone (1) stood out as the most promising compound, exhibiting significant non-host phytotoxic activity on tomato leaves; potent antibacterial activity against a wide range of human pathogens, including methicillin-resistant Staphylococcus aureus (MRSA) strains; and marked antifungal activity against several economically important phytopathogens. (–)-Asperpentyn (3) also showed robust and selective antifungal activity against phytopathogens, while catenioblin A (2) exhibited only a slight phytotoxic effect and limited overall bioactivity in this study. These findings reveal that the isolated endophytic fungi hold considerable promise as an untapped source of bioactive metabolites with antibacterial, antifungal, and phytotoxic activities. Full article

(This article belongs to the Special Issue Advances in Extraction, Biological Activity of Natural Products and Their Derivatives)

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