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Natural Products and Phytomedicines: From Chemical Profiling and Pharmacological Properties...
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Natural Products and Phytomedicines: From Chemical Profiling and Pharmacological Properties to Therapeutic Applications

A special issue of Pharmaceuticals (ISSN 1424-8247). This special issue belongs to the section "Natural Products".

Deadline for manuscript submissions: 31 December 2026 | Viewed by 5403

Special Issue Editors

Dr. Jorge P. Machado

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Guest Editor
ICBAS, School of Medicine and Biomedical Sciences, University of Porto, 4050-313 Porto, Portugal
Interests: biomedical sciences; global and integrative health; complementary therapy development; extracellular superconductor transmission; supplementary nutrition and natural diet; physical and respiratory movements; clinical trials; medicine advances on artificial and biological intelligence integration; biomineralization of biosynthetic membranes; calcification physiology mechanisms in mollusks
Special Issues, Collections and Topics in MDPI journals
Dr. Maria Helena Chéu

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Guest Editor
1. Insight: Piaget Research Center for Ecological Human Development, Instituto Piaget—ISEIT, Estrada do Alto Gaio, 3515-776 Lordosa Viseu, Portugal
2. Instituto Universitario de Investigación en Olivar y Aceites de Oliva, Universidad de Jaén, GEOLIT Parque Científico y Tecnológico, 23620 Mengíbar, Spain
Interests: olive tree; olive fruit; oleic technology; physicochemical and sensory characteristics of olive oils
Dr. Maria Begoña Criado

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Guest Editor
H-TOXRUN—One Health Toxicology Research Unit, University Institute of Health Sciences-CESPU, 4585-116 Gandra, Portugal
Interests: global and integrative health; complementary therapy development; supplementary nutrition and natural diet; clinical trials; human genetics; platelet activation; thrombosis and hemostasis
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Phytomedicine and natural product chemistry are subjects that are quickly evolving thanks to constant advancements in molecular composition and their translation into therapeutic innovative value. These represent a conscious shift in pharmaceuticals and clinical care from curative interventions to preventive strategies. 

With the elderly population growing globally, the World Health Organization is prioritizing healthy ageing and investing in health systems, taking a step-by-step detour from the longstanding use of single chemosynthetic drugs toward a more modern construct of a multitarget therapy bearing upon the research of natural resources. The systematization of novel strategies requires standardization of phytopreparates, employing high-tech methodology to screen, identify, isolate, and characterize extracts and their components, as well as controlled testing for pharmacokinetics and therapeutic efficacy. Recent scientific findings justify the revitalized pursuit of natural products as drug component parts, particularly addressing immunomodulation and antimicrobial resistance, and cardiovascular, metabolic, neuroinflammatory, carcinogenic, and other multi-etiological conditions such as depression. Still, nature's biodiversity illustrates challenges that might open up windows of opportunity for creating sustainable added-value products. 

With this Special Issue, entitled “Natural Products and Phytomedicines: From Chemical Profiling and Pharmacological Properties to Therapeutic Applications”, we aim to publish rigorously peer-reviewed original research and recent review articles regarding natural products' compositional, biochemical, pharmacological, and therapeutic properties. Furthermore, works focusing on improved/new sustainable extraction, analytical screening, and molecular purification strategies are welcome to be submitted. Besides in vitro and in vivo studies, clinical trials focused on bioavailability, toxicity, secondary interaction, and synergetic properties are welcomed. Furthermore, manuscripts focused on the differential efficacy between preparations from leaf powder, decoction, infusions, or pills are also invited. Finally, the purpose of this Special Issue is to deliver the most recent scientific breakthroughs and technological developments disclosing the pivotal status held by evidence-based phytopharma and natural derivates.

 P.S. The Editors of this Special Issue extend their sincere gratitude to Dr. Natália M. De Oliveira for her invaluable contributions. Her assistance in meticulous management and dedicated efforts in promoting this Special Issue have significantly enhanced its visibility and impact within the field. 

Dr. Jorge P. Machado
Dr. Maria Helena Chéu
Dr. Maria Begoña Criado
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.

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. Pharmaceuticals is an international peer-reviewed open access monthly 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 2900 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

  • natural products and derivatives
  • (nano)phytomedicine
  • plant extracts and phytopreparates
  • biochemical profiling
  • active principles
  • phytopharmacological mechanisms
  • signaling pathways
  • network pharmacology
  • molecular docking
  • pharmacokinetics and toxicity assays
  • clinical studies
  • therapeutic novelty
  • sustainable development

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Published Papers (7 papers)

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Research

25 pages, 4746 KB  
Article
Development and Preclinical Safety Evaluation of an Injectable β-Caryophyllene Nanoemulsion
by Ana Bárbara Souza Viana, Natálya Gabriely Lobato-Santos, Andressa Ketelem Meireles Alberto, Abrahão Victor Tavares de Lima Teixeira dos Santos, Sergio Gabriell Leite Brito, Nayara Nilcia Dias Colares and José Carlos Tavares Carvalho
Pharmaceuticals 2026, 19(5), 763; https://doi.org/10.3390/ph19050763 (registering DOI) - 13 May 2026
Viewed by 108
Abstract
Background/Objectives: β-Caryophyllene is a plant-derived sesquiterpene with recognized therapeutic potential; however, high lipophilicity and low aqueous solubility limit its parenteral application. Nanoemulsion-based systems represent a rational strategy to address these challenges. This study aimed to develop and physicochemically characterize an injectable β-caryophyllene nanoemulsion [...] Read more.
Background/Objectives: β-Caryophyllene is a plant-derived sesquiterpene with recognized therapeutic potential; however, high lipophilicity and low aqueous solubility limit its parenteral application. Nanoemulsion-based systems represent a rational strategy to address these challenges. This study aimed to develop and physicochemically characterize an injectable β-caryophyllene nanoemulsion and to evaluate its preclinical safety following intramuscular administration. Methods: Five nanoemulsions (NBCP1–NBCP5) were prepared by low-energy emulsification using different hydrophilic–lipophilic balance (HLB) values and characterized in terms of particle size, polydispersity index, zeta potential, and encapsulation efficiency. The optimized formulation (NBCP1) was evaluated in a 14-day subacute intramuscular toxicity study in male Wistar rats (n = 5 per group) at doses of 5 and 15 mg/kg. Clinical observations, food and water intake, body weight, hematological and biochemical parameters, and histopathological analyses of muscle, liver, and kidney tissues were assessed. Results: NBCP1 exhibited favorable physicochemical properties, including a mean particle size of 102.39 nm, PDI of 0.27, zeta potential of −27.5 mV, and encapsulation efficiency of 97.16%, and remained stable under stress conditions. Repeated intramuscular administration did not induce behavioral alterations, changes in consumption patterns, or differences in body weight between the control and treated groups. Hematological and biochemical parameters remained within physiological ranges, and histopathological analysis revealed preserved tissue architecture without inflammatory or degenerative changes. Conclusions: The results support the suitability of NBCP1 as a stable nanoemulsion platform for the parenteral delivery of β-caryophyllene under the evaluated conditions. These findings address the limited information available on injectable formulations of this sesquiterpene and provide a foundation for future pharmacokinetic, longer-term safety, and efficacy studies. Full article
(This article belongs to the Special Issue Natural Products and Phytomedicines: From Chemical Profiling and Pharmacological Properties to Therapeutic Applications)
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11 pages, 359 KB  
Article
Evaluating Formulation-Dependent Chemical Variation and Comparability of Maziren-Wan Preparations via Multi-Component LC–MS/MS Profiling
by Chang-Seob Seo
Pharmaceuticals 2026, 19(4), 577; https://doi.org/10.3390/ph19040577 - 3 Apr 2026
Viewed by 401
Abstract
Background/Objectives: Maziren-Wan (MZRW) is a traditional herbal prescription that has been used for the treatment of chronic constipation and is currently available in the form of granules or decoctions. Given its multi-component nature and various dosage forms, evaluating the chemical consistency of [...] Read more.
Background/Objectives: Maziren-Wan (MZRW) is a traditional herbal prescription that has been used for the treatment of chronic constipation and is currently available in the form of granules or decoctions. Given its multi-component nature and various dosage forms, evaluating the chemical consistency of MZRW preparations is important for pharmaceutical quality assessment. The aim of the present study was to compare formulation-dependent chemical profiles of different MZRW preparations using a multi-component analytical approach. Methods: An excipient-free reference extract and two commercially available MZRW extract granule products were analyzed using a validated liquid chromatography–tandem mass spectrometry (LC–MS/MS) method operating in multiple reaction monitoring mode. Thirty marker compounds derived from the constituent herbs were simultaneously quantified, and their levels were statistically compared among the preparations. Results: Quantitative analysis revealed formulation-dependent variation in the abundance of several marker compounds. Amygdalin and magnoloside A exhibited markedly higher levels in the excipient-free reference extract than in the commercial granule products, whereas sennoside A showed relatively consistent levels across the preparations. Conclusions: The results indicate that MZRW preparations sharing an identical herbal composition can exhibit formulation-dependent differences in chemical profiles. Comparative evaluation based on multiple marker compounds may provide useful information for assessing chemical consistency and supporting quality assessment of MZRW preparations formulated under different conditions. Full article
(This article belongs to the Special Issue Natural Products and Phytomedicines: From Chemical Profiling and Pharmacological Properties to Therapeutic Applications)
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22 pages, 5196 KB  
Article
Phytotherapeutic Intervention in Monosodium Glutamate-Induced Uterine Dysfunction: Efficacy of Lepidium sativum, Prunus armeniaca, Stachys palustris, and Solenostemma argel
by Eslam ElNebrisi, Nadia M. El Rouby, Fatimah Muaamar Noori, Nikoo Ali Jalali, Rodiana Mohamed Fouad Saber, Zainab Safieldin Abdalla Mohamed and Naglaa Gamil Shehab
Pharmaceuticals 2026, 19(3), 521; https://doi.org/10.3390/ph19030521 - 23 Mar 2026
Viewed by 699
Abstract
Introduction: Uterine fibroids are benign tumors arising from uterine smooth muscle and significantly affect women’s health worldwide. While conventional treatments often involve hormonal therapies or invasive surgeries, these approaches are limited by cost, side effects, and fertility concerns. This study aimed to [...] Read more.
Introduction: Uterine fibroids are benign tumors arising from uterine smooth muscle and significantly affect women’s health worldwide. While conventional treatments often involve hormonal therapies or invasive surgeries, these approaches are limited by cost, side effects, and fertility concerns. This study aimed to evaluate the in vivo bioactivity of four medicinal plant extracts, Lepidium sativum, Prunus armeniaca, Solenostemma argel, and Stachys palustris, in ameliorating monosodium glutamate (MSG)-induced uterine changes in rats, providing preliminary preclinical evidence. Methods: The extracts were evaluated for their flavonoid and total phenolic contents, antioxidant capacity, and hormonal modulatory effects. Female Wistar rats were treated with monosodium glutamate to induce uterine changes, followed by interventions with herbal extracts. Outcomes were evaluated via biochemical, hormonal, and histological analyses. Results: Among the four extracts, Lepidium sativum and Stachys palustris showed superior antioxidant activity, restoring catalase, glutathione, and superoxide dismutase levels. These extracts also significantly reduced estrogen levels and estrogen receptor expression, correlating with improved histological outcomes, including reduced endometrial hyperplasia and myometrial thickness. Solenostemma argel and Prunus armeniaca exhibited moderate effects. Conclusions: This study underscores the potential of Lepidium sativum and Stachys palustris as natural therapeutic agents for fibroid management through antioxidant activity and hormonal modulation. Future research should focus on clinical validation to translate these findings into effective treatments. Full article
(This article belongs to the Special Issue Natural Products and Phytomedicines: From Chemical Profiling and Pharmacological Properties to Therapeutic Applications)
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17 pages, 1503 KB  
Article
Effects of Chronic 100 mg/kg Cannabidiol Treatment in Male Double Transgenic APPSwe/PS1∆E9 Mice
by Georgia Watt, Juan Olaya, Gerald Muench, Brett Garner and Tim Karl
Pharmaceuticals 2026, 19(3), 374; https://doi.org/10.3390/ph19030374 - 27 Feb 2026
Viewed by 937
Abstract
Background/Objectives: Alzheimer’s disease (AD) is a neurodegenerative disease for which there are no highly effective treatments, which highlights the need for novel therapeutics. Cannabidiol (CBD) has demonstrated antioxidant, anti-inflammatory and neuroprotective properties. Chronic CBD treatment (20 mg/kg and 50 mg/kg) reverses social [...] Read more.
Background/Objectives: Alzheimer’s disease (AD) is a neurodegenerative disease for which there are no highly effective treatments, which highlights the need for novel therapeutics. Cannabidiol (CBD) has demonstrated antioxidant, anti-inflammatory and neuroprotective properties. Chronic CBD treatment (20 mg/kg and 50 mg/kg) reverses social recognition memory deficits of APPSwe/PS1∆E9 (APP/PS1) transgenic mice; however, it does not produce effects on AD-relevant brain pathology. Methods: Here, we investigated whether chronic high-dose CBD treatment (i.e., 100 mg/kg intraperitoneally) in early symptomatic 7.5-month-old APP/PS1 males would reverse cognitive deficits while also influencing neuropathological markers relevant to AD. Mice were assessed for anxiety, recognition memory, and social and aggressive behaviours before carrying out neuropathological analyses of collected brain tissue. Results: Vehicle-treated APP/PS1 transgenic males demonstrated reduced aggressive behaviour and increased socio-positive behaviour. A moderate deficit in social recognition memory was restored by CBD. APP/PS1 mice also exhibited elevated cortical proBDNF levels under vehicle treatment, and hippocampal levels of TNF-α and IL-1β were reduced in all APP/PS1 mice. AD transgenic mice exhibited no changes in soluble or insoluble Aβ42 levels or PPARγ isoforms. Conclusions: This study found that high-dose CBD restored a moderate social recognition memory deficit. However, CBD did not have marked effects on AD-relevant neuropathological markers assessed, most likely because the AD transgenic mice were evaluated at a disease stage too early to detect significant pathological changes. Thus, the underlying mechanisms for CBD’s effect on social recognition memory require further investigation. Full article
(This article belongs to the Special Issue Natural Products and Phytomedicines: From Chemical Profiling and Pharmacological Properties to Therapeutic Applications)
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23 pages, 3958 KB  
Article
Discovery of Plant-Derived Natural Compounds as Novel GABA Aminotransferase Inhibitors: Structure-Based Discovery, Experimental Validation, and Molecular Dynamics Analysis
by Jinyoung Park, Muhammad Yasir, Eun-Taek Han, Won Sun Park, Jin-Hee Han, Jongseon Choe and Wanjoo Chun
Pharmaceuticals 2026, 19(2), 307; https://doi.org/10.3390/ph19020307 - 12 Feb 2026
Cited by 1 | Viewed by 1047
Abstract
Background/Objectives: γ-Aminobutyric acid aminotransferase (GABA-AT) is a key enzyme responsible for GABA catabolism and represents a validated therapeutic target for epilepsy. Although existing GABA-AT inhibitors such as vigabatrin are clinically effective, their long-term use is limited by safety concerns, highlighting the need for [...] Read more.
Background/Objectives: γ-Aminobutyric acid aminotransferase (GABA-AT) is a key enzyme responsible for GABA catabolism and represents a validated therapeutic target for epilepsy. Although existing GABA-AT inhibitors such as vigabatrin are clinically effective, their long-term use is limited by safety concerns, highlighting the need for alternative inhibitors with improved profiles. In this study, we employed an integrated natural product-oriented discovery strategy to identify novel GABA-AT inhibitors from plant-derived compounds. Methods: A library of 1006 plant-derived compounds collected from seven medicinal plants traditionally associated with sedative or anxiolytic effects was subjected to primary virtual screening using GNINA. Top-ranked candidates were further refined through secondary precision docking using aglycone forms to account for biologically relevant metabolic conversion. Detailed interaction analyses and molecular dynamics simulations were performed to assess binding stability and energetic favorability. Results: Based on computational prioritization, quercetin, salvianolic acid A, and scutellarein were selected for experimental validation. Cell-based GABA-AT activity assays in HepG2 cells demonstrated that quercetin and salvianolic acid A significantly inhibited intracellular GABA-AT activity, exhibiting comparable or greater efficacy than vigabatrin, while scutellarein showed moderate inhibition. The observed cellular inhibitory effects were consistent with predicted binding modes and dynamic stability observed in in silico analyses. Conclusions: Collectively, this study highlights the utility of an aglycone-focused, structure-based screening strategy for natural product drug discovery and identifies plant-derived aglycones as promising GABA-AT inhibitor candidates for further pharmacological development. Full article
(This article belongs to the Special Issue Natural Products and Phytomedicines: From Chemical Profiling and Pharmacological Properties to Therapeutic Applications)
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23 pages, 859 KB  
Article
Integrated LC–HRMS and HPLC Profiling of Fourteen Anatolian Hypericum Extracts Reveals Distinct Chemometric and Bioactivity Patterns
by Ömerül Faruk Tavlı, Alevcan Kaplan, Hasan Şahin, Emel Mataracı Kara, Gülsen Tel Çayan, Fatih Çayan, Ercan Çınar, Mehmet Boğa, Çağlayan Gürer and Esra Eroğlu Özkan
Pharmaceuticals 2026, 19(2), 299; https://doi.org/10.3390/ph19020299 - 11 Feb 2026
Viewed by 792
Abstract
Background/Objectives: Anatolia hosts a rich diversity of Hypericum taxa; however, the chemical and biological properties of most species remain insufficiently characterized. Methods: This study combined liquid chromatography–high-resolution mass spectrometry (LC–HRMS) with high-performance liquid chromatography coupled to diode-array detection (HPLC–DAD) to profile [...] Read more.
Background/Objectives: Anatolia hosts a rich diversity of Hypericum taxa; however, the chemical and biological properties of most species remain insufficiently characterized. Methods: This study combined liquid chromatography–high-resolution mass spectrometry (LC–HRMS) with high-performance liquid chromatography coupled to diode-array detection (HPLC–DAD) to profile 14 extracts obtained from 12 Anatolian species together with H. perforatum, and to examine whether metabolic variation aligns with bioactivity trends. Results: Chemometric analyses (Principal Component Analysis—PCA—and Hierarchical Cluster Analysis—HCA) revealed distinct chemotypes primarily driven by phenolic acids and flavonol glycosides, with hyperoside emerging as a consistently abundant marker. Phenolic-rich extracts displayed enhanced functional properties in multiple assays. Among them, H. triquetrifolium showed the strongest acetylcholinesterase inhibition and notable antioxidant capacity, whereas the selected taxa exhibited comparatively high tyrosinase or α-glucosidase inhibition. Antimicrobial testing indicated narrow-spectrum activity limited to Gram-positive bacteria and Candida spp. Conclusions: The integration of metabolite profiling with chemometric and functional data highlights clear chemotype–bioactivity associations across Anatolian Hypericum taxa and underscores the analytical value of LC–HRMS-guided chemotyping for pharmacognostic assessments. These results broaden the phytochemical and bioactivity landscape of this genus and provide a comparative framework for prioritizing species for future targeted investigations. Full article
(This article belongs to the Special Issue Natural Products and Phytomedicines: From Chemical Profiling and Pharmacological Properties to Therapeutic Applications)
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17 pages, 2403 KB  
Article
P-Hydroxybenzaldehyde from Gastrodia elata Blume Reduces Hydroxyurea-Induced Cellular Senescent Phenotypes in Human SH-SY5Y Cells via Enhancing Autophagy
by Shuhui Qu, Daijiao Tang, Lingxuan Fan, Yuan Dai, Hai-Jing Zhong, Wei Cai and Cheong-Meng Chong
Pharmaceuticals 2026, 19(2), 207; https://doi.org/10.3390/ph19020207 - 25 Jan 2026
Viewed by 554
Abstract
Background/Objectives: The rhizome of Gastrodia elata Blume (Tianma) is a functional food with medicinal value in China, used to improve the health of the central nervous system and reported to exhibit anti-cellular senescent activity. P-hydroxybenzaldehyde (P-HBA) is a key aromatic compound isolated [...] Read more.
Background/Objectives: The rhizome of Gastrodia elata Blume (Tianma) is a functional food with medicinal value in China, used to improve the health of the central nervous system and reported to exhibit anti-cellular senescent activity. P-hydroxybenzaldehyde (P-HBA) is a key aromatic compound isolated from Tianma; however, its potential to mitigate cellular senescence remains unclear. Methods: We employed ultra-performance liquid chromatography-mass spectrometry to identify the chemical characterization of Tianma extract. Cell viability assay, senescence-associated-β-galactosidase (SA-β-Gal) assay, and immunofluorescence staining and autophagy analysis were used to evaluate the anti-senescent activity of P-HBA and other Tianma components. Results: Our findings demonstrate that Tianma methanol extract (TME) and P-HBA significantly reduce cellular senescent inducer hydroxyurea (HU)-induced DNA damage, SA-β-Gal activity increase, and autophagic dysfunction in human SH-SY5Y cells. Notably, an autophagy inhibitor, chloroquine, can reduce anti-cellular senescent activity of P-HBA. Conclusions: These results suggest that P-HBA exhibits the effect of reducing cellular senescent phenotypes, and its effect is achieved by enhancing autophagy. Full article
(This article belongs to the Special Issue Natural Products and Phytomedicines: From Chemical Profiling and Pharmacological Properties to Therapeutic Applications)
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