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Biological Evaluation of Plant Extracts, 2nd Edition
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Biological Evaluation of Plant Extracts, 2nd Edition

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

Deadline for manuscript submissions: 31 August 2026 | Viewed by 4758

Special Issue Editor

Dr. Rumyana Simeonova

E-Mail Website
Guest Editor
Department of Pharmacology, Pharmacotherapy and Toxicology, Faculty of Pharmacy, Medical University of Sofia, 1000 Sofia, Bulgaria
Interests: antioxidants; antioxidant activity; lipid peroxidation; oxidative stress; reactive oxygen species
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Biological evaluation of plant extracts is a critical step in the discovery and development of novel therapeutic agents derived from natural sources. For centuries, medicinal plants have been traditionally used in the treatment of various diseases; modern scientific approaches aim to validate and expand this knowledge through rigorous experimental methods. Biological evaluation involves a wide range of in vitro and in vivo assays designed to assess pharmacological activities, such as antimicrobial, anti-inflammatory, antioxidant, cytotoxic, and immunomodulatory effects. These studies also encompass toxicity screening to ensure safety and identify potential side effects. The efficacy of plant extracts is largely influenced by their phytochemical composition, which includes alkaloids, flavonoids, terpenoids, phenolic compounds, and other bioactive constituents. The standardization of extract preparation, accurate quantification of active compounds, and reproducible testing models are essential for generating reliable data. Moreover, the integration of advanced techniques, such as high-throughput screening, metabolomics, proteomics, and molecular docking, further enhances our understanding of phytochemicals’ mechanisms of action. The biological evaluation of plant extracts not only supports their traditional uses but also contributes to the development of evidence-based phytotherapeutics and the identification of lead compounds for pharmaceutical development.

Dr. Rumyana Simeonova
Guest Editor

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Keywords

  • medicinal plants
  • phytochemistry
  • phytopharmacology
  • metabolomics
  • proteomics
  • cell signalization

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Related Special Issue

Published Papers (7 papers)

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Research

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28 pages, 8534 KB  
Article
From Plant Propagation to Anticancer Activity: Phytochemical and Biological Evaluation of Water Extracts of Salvia aethiopis L. Flowers, Leaves and Stems
by Ani Georgieva, Inna Sulikovska, Maria Petrova, Vera Djeliova, Margarita Dimitrova, Lyudmila Dimitrova, Nenad Tsonevski, Teodor Badarov, Maria Lazarova, Petko Denev, Polina Petkova-Kirova and Krasimira Tasheva
Molecules 2026, 31(10), 1573; https://doi.org/10.3390/molecules31101573 - 8 May 2026
Viewed by 182
Abstract
Salvia aethiopis L. is a medicinal and aromatic species of growing scientific interest due to its biological potential. The study aimed to develop an efficient in vitro micropropagation protocol and to evaluate the antioxidant and anticancer activity of aqueous extracts derived from the [...] Read more.
Salvia aethiopis L. is a medicinal and aromatic species of growing scientific interest due to its biological potential. The study aimed to develop an efficient in vitro micropropagation protocol and to evaluate the antioxidant and anticancer activity of aqueous extracts derived from the three different aerial plant parts—flowers, leaves and stems—of the in vitro-cultivated plants and compare them with those of the wild-growing plants. Optimal parameters for the micropropagation of the species were established, yielding 80% field survival and flowering in the second year. The highest total polyphenol and flavonoid content and antioxidant activity were recorded in the flower extract from wild plants—14,681 ± 211 mg GAE/100 g, 2317 ± 77 mg RE/100 g and 4563 ± 280 µmol TE/g, respectively. HPLC analysis confirmed the presence of key bioactive compounds, including rosmarinic acid, caffeic acid, and apigenin. The anticancer potential of the different extracts was assessed against human cervical, mammary and colorectal cell lines. The extracts exhibited significant antiproliferative activity, with HT-29 colorectal carcinoma cells being the most sensitive. Flower extracts of wild plants showed the strongest cytotoxic effects with IC50 values at 72 h being lower than 100 μg/mL for all cancer cell lines. Fluorescence microscopy and flow cytometry analyses indicated that the observed extract-induced anticancer effects were associated with mitochondrial dysfunction, cell cycle alterations, modulation of autophagy, and induction of apoptotic and necrotic cancer cell death. These findings highlight the potential of extracts of S. aethiopis for anticancer therapy. Full article
(This article belongs to the Special Issue Biological Evaluation of Plant Extracts, 2nd Edition)
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15 pages, 1885 KB  
Article
Phenolic Compounds from Cinnamomum camphora Roots: Extraction Optimization, Purification, Isolation, and Bioactivity Evaluation
by Jinhua Long, Wei Zheng, Lu Liu, Yuting Pang, Yijia Zhang, Yuping Luan and Nan Xu
Molecules 2026, 31(9), 1550; https://doi.org/10.3390/molecules31091550 - 6 May 2026
Viewed by 487
Abstract
Previous studies have demonstrated that C. camphora exhibits diverse bioactivities, but its roots, particularly their phenolic constituents, remain largely unexplored. In this study, we optimized the extraction and purification of total phenolics from C. camphora roots, isolated their chemical constituents, and evaluated their [...] Read more.
Previous studies have demonstrated that C. camphora exhibits diverse bioactivities, but its roots, particularly their phenolic constituents, remain largely unexplored. In this study, we optimized the extraction and purification of total phenolics from C. camphora roots, isolated their chemical constituents, and evaluated their bioactivities. Response surface methodology yielded optimal conditions of 71% ethanol, 78 °C, and a liquid-to-solid ratio of 24:1 (mL/g), giving a total phenolic content of 3.60 mg/g. Purification with HPD-600 resin followed pseudo-second-order kinetics (R2 = 0.9987). From the enriched phenolic fraction, twelve phenolic compounds were isolated, seven of which are reported from C. camphora roots for the first time. The enriched fraction exhibited strong antioxidant activities (DPPH IC50 = 107.21 μg/mL; •OH IC50 = 130.7 μg/mL; O2− IC50 = 141.70 μg/mL) and significant pancreatic lipase inhibitory activity (IC50 = 0.80 mg/mL). This integrated approach expands the chemical diversity of C. camphora roots and highlights their potential as a natural source of antioxidants and lipid-lowering agents. Full article
(This article belongs to the Special Issue Biological Evaluation of Plant Extracts, 2nd Edition)
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23 pages, 10847 KB  
Article
Understanding the Antihyperglycemic Activity of Annona cherimola Leaves. An Edible and Medicinal Plant in Mexico: In Vivo and Ex-Vivo Studies
by Fernando Calzada, Yoseth L. Ruedaflores, Jessica Elena Mendieta-Wejebe, Jesica Ramírez-Santos, Miguel Valdes, Claudia Velázquez and Elizabeth Barbosa
Molecules 2026, 31(9), 1393; https://doi.org/10.3390/molecules31091393 - 23 Apr 2026
Viewed by 455
Abstract
Annona cherimola is a plant species widely used in Mexican traditional medicine, particularly in the management of diabetes. This study aimed to investigate the antihyperglycemic properties of the petroleum ether extract of A. cherimola leaves (PEEAcL), as well as to evaluate their effects [...] Read more.
Annona cherimola is a plant species widely used in Mexican traditional medicine, particularly in the management of diabetes. This study aimed to investigate the antihyperglycemic properties of the petroleum ether extract of A. cherimola leaves (PEEAcL), as well as to evaluate their effects on glycated hemoglobin and toxicity. In addition, the work was directed to determine its potential as an SGLT-1 and α-glucosidase inhibitor. The effect as a potential SGLT-1 and α-glucosidase inhibitor of PEEAcL was evaluated utilizing intestinal glucose absorption (IGA), oral glucose tolerance (OGT), oral sucrose tolerance (OST) and intestinal sucrose hydrolysis (ISH) tests. PEEAcL administered at doses of 200 mg/kg showed significant antihyperglycemic activity after 1 h of treatment, and the maximum effect was seen at 4 h in male and female diabetic mice. In the OST, OLT, and OGT tests, PEEAcL generated a reduction in the postprandial glucose peak at 2 h after the administration of a carbohydrate load, showing an effect comparable to that of acarbose and canagliflozin. In the IGA trial, PEEAcL significantly reduced glucose uptake in the small intestine. Similarly, in the ISH, PEEAcL recorded a significant reduction in glucose concentration in the external aqueous medium. Taken together, these results suggest that the antihyperglycemic effect of PEEAcL could be mediated, at least in part, by inhibition of SGLT-1 and the enzyme α-glucosidase. Full article
(This article belongs to the Special Issue Biological Evaluation of Plant Extracts, 2nd Edition)
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13 pages, 4603 KB  
Article
Evidence of Antiproliferative Activity in the Liverwort Isotachis serrulata from Southern Ecuador
by José Miguel Andrade, Ángel Benítez, Aday González-Bakker, Luis Cartuche, José M. Padrón, Ana R. Díaz-Marrero and José J. Fernandez
Molecules 2026, 31(7), 1208; https://doi.org/10.3390/molecules31071208 - 6 Apr 2026
Viewed by 483
Abstract
Natural products from bryophytes represent an underexplored source of structurally diverse bioactive compounds. In this study, extracts of Isotachis serrulata collected in southern Ecuador were evaluated for antiproliferative activity against five human tumor cell lines. Sequential extraction and chromatographic fractionation yielded six fractions, [...] Read more.
Natural products from bryophytes represent an underexplored source of structurally diverse bioactive compounds. In this study, extracts of Isotachis serrulata collected in southern Ecuador were evaluated for antiproliferative activity against five human tumor cell lines. Sequential extraction and chromatographic fractionation yielded six fractions, among which fraction IsF5 displayed the most notable activity, particularly against lung (SW1573) and breast (T-47D) cancer cell lines, with GI50 values within the moderate activity range according to National Cancer Institute criteria. Phytochemical investigation of IsF5 revealed the presence of two glycosylated aromatic constituents, tentatively assigned as tachioside and isotachioside, based on comparative 1H and 13C NMR spectroscopic analysis. These compounds were obtained as a mixture and were not evaluated individually due to limited material. Additionally, species distribution modeling using MaxEnt indicated that I. serrulata is primarily associated with humid montane and páramo ecosystems in the southern, central and northern Andes of Ecuador, where elevation and precipitation variables strongly influence its distribution. This study provides the first integrated assessment of the antiproliferative activity, chemical profiling, and ecological distribution of I. serrulata. Full article
(This article belongs to the Special Issue Biological Evaluation of Plant Extracts, 2nd Edition)
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16 pages, 1808 KB  
Article
Phytochemical Characterization and Biological Evaluation of Camellia hakodae Ninh Flowers
by Nguyen Hoang Thao My, Nguyen Huu Lac Thuy, Vo Thi Kim Khuyen and Nguyen Duc Tuan
Molecules 2026, 31(7), 1088; https://doi.org/10.3390/molecules31071088 - 26 Mar 2026
Viewed by 551
Abstract
Camellia hakodae Ninh flowers are an endemic Vietnamese species with limited phytochemical and biological characterization. This study aimed to characterize the phytochemical profile and evaluate antioxidant and anti-inflammatory activities of the total flower extract. Ultrasonic-assisted extraction (UAE) and maceration with methanol and ethanol [...] Read more.
Camellia hakodae Ninh flowers are an endemic Vietnamese species with limited phytochemical and biological characterization. This study aimed to characterize the phytochemical profile and evaluate antioxidant and anti-inflammatory activities of the total flower extract. Ultrasonic-assisted extraction (UAE) and maceration with methanol and ethanol at different concentrations were carried out to evaluate the efficiency of extracting total phenolic content (TPC) and total flavonoid content (TFC), quantified by colorimetric assays, along with the antioxidant and anti-inflammatory activities of the resulting extracts. The highest TPC (94.9 ± 4.5 mg GAE/g) and TFC (3.1 ± 0.2 mg QE/g) were obtained using UAE with 70% methanol, while maceration with 70% ethanol showed comparable TPC values. The optimized extract exhibited strong antioxidant activity with an IC50 of 29.06 µg/mL, close to that of ascorbic acid (28.16 µg/mL) and significant anti-inflammatory activity in the proteinase inhibition assay (IC50 = 2.72 mg/mL) compared to acetylsalicylic acid (IC50 = 3.16 mg/mL). GC-MS and LC-QTOF-MS/MS analyses revealed diverse metabolites, including phenolic acids, flavonoids, fatty acids, terpenoids, and nitrogen-containing compounds, with representative constituents, such as quinic acid, catechins, flavonol glycosides, and loliolide, providing strong chemical evidence for the observed bioactivities. This integrated study demonstrates that C. hakodae flower is a rich source of multifunctional bioactive compounds and highlights its strong potential for applications in nutraceuticals, functional foods, and cosmeceuticals. Full article
(This article belongs to the Special Issue Biological Evaluation of Plant Extracts, 2nd Edition)
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Review

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24 pages, 3765 KB  
Review
An Overview of Metabolomic Approaches to Polyphenol Profiling for Nutraceutical Development
by Temitope Oluwaferanmi Egbeniyi, Julius Dongsogo, Titilayo Oluwayemisi Bamidele and Alberta N. A. Aryee
Molecules 2026, 31(9), 1468; https://doi.org/10.3390/molecules31091468 - 28 Apr 2026
Viewed by 617
Abstract
Secondary plant metabolites such as polyphenols (flavonoids, phenolic acids, stilbenes, and lignans) are valued for their numerous benefits and commonly associated with antioxidants, anti-inflammatory, anticancer, neuroprotective, and antidiabetic effects. Comprehensive profiling facilitates their identification and quantification, with metabolomics emerging as an increasingly valuable [...] Read more.
Secondary plant metabolites such as polyphenols (flavonoids, phenolic acids, stilbenes, and lignans) are valued for their numerous benefits and commonly associated with antioxidants, anti-inflammatory, anticancer, neuroprotective, and antidiabetic effects. Comprehensive profiling facilitates their identification and quantification, with metabolomics emerging as an increasingly valuable tool. This current work provides an overview of recent application of metabolomics for investigating polyphenols with nutraceutical potential. It also highlights the influence of plant species and environmental stressors (both biotics and abiotic) inducing metabolic shifts that promote the production and accumulation of these bioactive compounds (BACs). While various analytical tools including mass spectrometry (MS) coupled with liquid chromatography (LC-MS) or gas chromatography (GC-MS), as well as nuclear magnetic resonance (NMR) spectroscopy have been utilized to identify the diverse group of polyphenol metabolites, LC-MS has been predominantly used due to its superior sensitivity and wider metabolite coverage, with flavonoids being the main compounds identified. The integration of bioinformatic tools and pathway enrichment analysis in metabolomics is providing expansive insight into the pool of polyphenols, and their bio-functional interpretation and metabolic variations beyond the narrow scope of chromatographic separation alone. This overview also identifies limitations of current methods and suggests directions for future research, aimed at facilitating the development of nutraceuticals. Full article
(This article belongs to the Special Issue Biological Evaluation of Plant Extracts, 2nd Edition)
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42 pages, 4311 KB  
Review
Emodin and the Anthraquinone Scaffold: Therapeutic Promise and Strategies to Overcome Translational Barriers
by Rositsa Mihaylova, Viktoria Elincheva, Rumyana Simeonova and Georgi Momekov
Molecules 2026, 31(5), 833; https://doi.org/10.3390/molecules31050833 - 2 Mar 2026
Cited by 1 | Viewed by 1404
Abstract
Emodin, a trihydroxy-methyl anthraquinone abundant in rhubarb, Polygonum species, and other medicinal plants, exemplifies the therapeutic potential and translational complexity of the broader anthraquinone scaffold. Anthraquinone derivatives have demonstrated antiproliferative, anti-inflammatory, metabolic, cardiovascular, antifibrotic, and immunomodulatory effects, consistently reported across diverse preclinical models, [...] Read more.
Emodin, a trihydroxy-methyl anthraquinone abundant in rhubarb, Polygonum species, and other medicinal plants, exemplifies the therapeutic potential and translational complexity of the broader anthraquinone scaffold. Anthraquinone derivatives have demonstrated antiproliferative, anti-inflammatory, metabolic, cardiovascular, antifibrotic, and immunomodulatory effects, consistently reported across diverse preclinical models, targeting pathways such as NF-κB, PI3K/AKT, MAPKs, AMPK, PPARs, NLRP3, and ferroptosis-related axes. Despite strong preclinical efficacy, clinical development has been limited by unfavorable absorption, distribution, metabolism, and excretion (ADME) characteristics, including poor aqueous solubility, extensive first-pass glucuronidation, and active efflux via intestinal and hepatic transporters. These features result in low and variable systemic exposure, while high local concentrations, particularly in the gastrointestinal tract, contribute to context-dependent toxicity signals that complicate risk assessment. The present review integrates pharmacological, toxicological, and formulation-focused evidence to provide a unified assessment of emodin and the anthraquinone scaffold. Particular emphasis is placed on bidirectional, dose- and context-dependent effects on the liver and kidney; the modulation of cytochrome P450 enzymes, UGTs, and transporters; and emerging preclinical formulation strategies that aim to decouple intrinsic bioactivity from pharmacokinetic limitations. Full article
(This article belongs to the Special Issue Biological Evaluation of Plant Extracts, 2nd Edition)
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