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Advancement in Phytochemistry and Pharmacology of Medicinal Plants
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Advancement in Phytochemistry and Pharmacology of Medicinal Plants

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

Deadline for manuscript submissions: 30 June 2026 | Viewed by 4031

Special Issue Editors

Dr. Marcelo José Dias

E-Mail Website
Guest Editor
Laboratory of Medicinal Plants and Phytotherapeutics, Department of Food and Medicines, Federal University of Alfenas—UNIFAL-MG, Alfenas 37130-001, Brazil
Interests: medicinal plants; extraction of bioactive compounds; chromatograms; ethnopharmacology; phytopreparations; phytotherapeutics; pharmacobotany; traditional pharmaceutical form
Dr. Claúdia Quintino Da Rocha

E-Mail Website
Guest Editor
Laboratory of Chemistry of Natural Products, Department of Chemistry, Federal University of Maranhão—UFMA, São Luís 65080-805, Brazil
Interests: medicinal plants; extraction of bioactive compounds; NMR; mass spectrometry; nanoformulations; extracts; essential oil; chromatography
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The study of medicinal plants remains a vital area of interdisciplinary research, bridging phytochemistry, pharmacology, ethnobotany, and biotechnology. Advances accessible to these studies are essential to promote health, preserve traditional cultures, generate economies, and conserve biodiversity on all continents. With the growing global demand for plant-based therapies and evidence-based phytomedicine, scientific innovation in this field is more critical than ever.

This Special Issue aims to showcase the latest progress in the phytochemical and pharmacological investigation of medicinal plants, including in vivo and in vitro ethnopharmacological studies, bioprospecting, and the standardization of herbal formulations. We welcome original research and reviews that address green chemistry and sustainable chemical processes, advanced chromatographic methods such as high-performance thin-layer chromatography (HPTLC), and novel pharmaceutical biotechnology approaches.

Particular attention will be given to the ethical application of artificial intelligence in natural product research and the development of new therapeutic platforms based on bioactive compounds. By highlighting promising chemical–biological studies and fostering collaboration among global research groups, this issue seeks to contribute to the scientific validation, innovation, and responsible integration of phytomedicine into modern healthcare.

Dr. Marcelo José Dias
Dr. Claúdia Quintino Da Rocha
Guest Editors

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Keywords

  • green chemistry and sustainable chemical processes
  • advanced thin layer chromatography
  • ethical application of artificial intelligence in natural products
  • natural product platforms
  • pharmaceutical biotechnology and chemical innovation
  • bioprospecting
  • phytomedicine
  • in vivo and in vitro ethnopharmacological studies
  • promising chemical–biological studies by research groups
  • phytomedicine and chemical standardization of herbal formulations

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Published Papers (4 papers)

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Research

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18 pages, 9053 KB  
Article
Computational and Experimental Analysis of Sophora alopecuroides L. Chloroform Fraction: Active Components and Anti-Breast Cancer Resistance Mechanisms
by Rui Xi, Xiaoying Yin, Chuangchuang Xiao, Haoran Chen, Yang Lu, Qin Zhao, Daming Shi and Fangyun Sun
Molecules 2026, 31(4), 660; https://doi.org/10.3390/molecules31040660 - 14 Feb 2026
Viewed by 453
Abstract
We discovered that the chloroform extracted from Sophora alopecuroides L. exhibited the capacity to counteract multidrug resistance in breast cancer significantly. However, the precise active ingredients and their underlying mechanisms of action remain to be elucidated, necessitating the urgent undertaking of in-depth studies. [...] Read more.
We discovered that the chloroform extracted from Sophora alopecuroides L. exhibited the capacity to counteract multidrug resistance in breast cancer significantly. However, the precise active ingredients and their underlying mechanisms of action remain to be elucidated, necessitating the urgent undertaking of in-depth studies. In this study, an extract of Sophora alopecuroides L. was obtained through ethanol extraction and chloroform solvent extraction. Subsequent isolation and multi-round screening using MCF-7/ADR cells yielded the highly active chloroform derivative SaL-30. The active compound group of Sophora alopecuroides L. (SACG), consisting of 13 compounds, was confirmed by HPLC-QTOF-MS/MS and compositional screening. Network pharmacological analysis and molecular docking technology demonstrated that SACG reversed breast cancer resistance through an intricate multi-component (flavonoids/alkaloids), multi-target (AKT1/TNF/CDK2), and multi-pathway (PI3K-AKT/FoxO/MAPK) synergistic mode of action, with the PI3K-AKT pathway acting as the core regulator. Cell experiments further demonstrate that SaL-30 has strong toxicity against MCF-7/ADR by cellular assay, with an IC50 value of 8.941 ± 0.327 µg/mL and a synergistic index of CI = 0.3258, exhibiting a strong synergistic anti-breast cancer effect when co-administered with Adriamycin. These findings provide a theoretical foundation for elucidating the anti-drug resistance mechanism of Sophora alopecuroides L. Full article
(This article belongs to the Special Issue Advancement in Phytochemistry and Pharmacology of Medicinal Plants)
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Review

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25 pages, 7085 KB  
Review
Elaeocarpus sylvestris (Lour.) Poir.: Phytochemistry and Pharmacological Potential—A Review
by Sultan Mehtap Büyüker, Khizar Abdullah Khan, Abdul Qadeer Khan Khalil, Imran Khan, Shah Jahan, Muhammad Adil, Khalid M. Al-Rohily, Abdulmoneem H. Al-Khamees and Atif Ali Khan Khalil
Molecules 2026, 31(8), 1299; https://doi.org/10.3390/molecules31081299 - 16 Apr 2026
Viewed by 359
Abstract
Elaeocarpus sylvestris (Lour.) Poir., an evergreen tree native to East and Southeast Asia, has gained increasing scientific attention owing to its broad pharmacological properties. Traditionally used in East Asian medicine to treat inflammation, fever, and infectious diseases, modern research has revealed diverse bioactivities, [...] Read more.
Elaeocarpus sylvestris (Lour.) Poir., an evergreen tree native to East and Southeast Asia, has gained increasing scientific attention owing to its broad pharmacological properties. Traditionally used in East Asian medicine to treat inflammation, fever, and infectious diseases, modern research has revealed diverse bioactivities, including potent antioxidant, anti-inflammatory, antiviral, anticancer, antidiabetic, and immunomodulatory effects. This therapeutic potential is primarily attributed to its rich phytochemical composition, particularly polyphenols such as geraniin, 1,2,3,4,6-penta-O-galloyl-β-D-glucose and quercetin. This review particularly focuses on the chemistry of E. sylvestris, summarizing structurally elucidated compounds, including hydrolysable tannins, flavonoids, and triterpenoids, along with recent insights into the structure–activity relationships that underpin these antiviral, antioxidant, and anticancer activities. Recent studies have demonstrated substantial antiviral efficacy of E. sylvestris extracts and isolated compounds against major human pathogens, including herpesviruses, influenza A virus, and SARS-CoV-2, supported by in silico, in vitro, in vivo, and early-phase clinical evaluations. Its cosmeceutical applications, including antioxidant, skin-whitening, and blue-light protective effects, further highlight its multifunctional potential. To our knowledge, this is the first comprehensive review summarizing the phytochemistry, pharmacological activities, therapeutic potential, and cosmeceutical applications of E. sylvestris. Despite these promising findings, challenges remain in elucidating precise molecular mechanisms, pharmacokinetics, and clinical validation. This review identifies current research gaps and future directions necessary to advance E. sylvestris as a scientifically validated natural therapeutic resource. Full article
(This article belongs to the Special Issue Advancement in Phytochemistry and Pharmacology of Medicinal Plants)
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26 pages, 4769 KB  
Review
Eupatorium fortunei Turcz.: An Updated Review on the Botany, Phytochemistry, Pharmacology, and Toxicology
by Jian-Qiang Ma, Yan-Ping Sun, Tian-Yuan Wu, Hui-Yue Yuan, Xin-Lan Li, Hua Huang, Li-Hong Wu, Zhi-Bin Wang and Hai-Xue Kuang
Molecules 2026, 31(7), 1137; https://doi.org/10.3390/molecules31071137 - 30 Mar 2026
Viewed by 537
Abstract
Eupatorium fortunei Turcz. (E. fortunei), a member of the Asteraceae family, is a widely utilized traditional medicinal herb in China. Historically, it has been employed to treat conditions such as influenza, nausea, anorexia, and various ailments associated with “pathogenic dampness”. To [...] Read more.
Eupatorium fortunei Turcz. (E. fortunei), a member of the Asteraceae family, is a widely utilized traditional medicinal herb in China. Historically, it has been employed to treat conditions such as influenza, nausea, anorexia, and various ailments associated with “pathogenic dampness”. To the best of our knowledge, this study presents the first systematic review of recent research on E. fortunei, based on a comprehensive literature search across both Chinese and international databases, including Web of Science, PubMed, SciFinder, and CNKI. The review encompasses its botanical characteristics, traditional applications, phytochemical composition, pharmacological properties, and toxicological profiles. Current research reveals a diverse array of phytochemicals in E. fortunei, with 162 compounds identified to date, including thymol derivatives, terpenoids, alkaloids, benzofurans, fatty acids, and other bioactive constituents. These compounds exhibit a broad spectrum of pharmacological activities, encompassing anti-cancer, anti-viral, anti-fungal, anti-inflammatory, and anti-diabetic effects. Among these, thymol derivatives and benzofurans emerge as the most prominent bioactive compounds, demonstrating potent cytotoxic effects against various tumor cell lines. Although E. fortunei is generally considered safe, certain pyrrolizidine alkaloids (PAs) present potential hepatotoxic risks, which can be mitigated through appropriate dosage control and formulation optimization. As a valuable traditional Chinese medicinal herb, E. fortunei exhibits substantial therapeutic potential. In conclusion, this review provides a comprehensive and systematic overview of current research on E. fortunei, offering scientific evidence and guidance for its rational development and clinical application. Full article
(This article belongs to the Special Issue Advancement in Phytochemistry and Pharmacology of Medicinal Plants)
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32 pages, 3249 KB  
Review
Centipeda minima: A Review of Phytochemistry, Pharmacology, and Predictive Analysis on Quality Markers
by Zhihong Shang, Yishuo Wang, Tianxin Zhu, Wenjing Niu, Tianai Lu and Rui Lou
Molecules 2025, 30(20), 4072; https://doi.org/10.3390/molecules30204072 - 13 Oct 2025
Viewed by 1557
Abstract
As a traditional Chinese medicinal herb, Centipeda minima (L.) A. Braun & Asch is known for its effects in dispersing wind-cold, clearing nasal passages, and relieving coughs. Current research has identified various chemical constituents isolated from C. minima, including volatile oils, flavonoids, [...] Read more.
As a traditional Chinese medicinal herb, Centipeda minima (L.) A. Braun & Asch is known for its effects in dispersing wind-cold, clearing nasal passages, and relieving coughs. Current research has identified various chemical constituents isolated from C. minima, including volatile oils, flavonoids, organic acids, and terpenoids. These compounds demonstrate multiple pharmacological activities such as anti-inflammatory, antioxidant, anti-allergic, and anti-tumour effects. This review summarizes the chemical constituents, pharmacological effects, and clinical applications of C. minima. Furthermore, based on the concept of Quality Markers (Q-Markers) in Chinese medicine, potential Q-Markers for C. minima are predicted and analyzed from five perspectives: botanical phylogeny, specificity of chemical composition, measurability of constituents, traditional efficacy, and medicinal properties. Compounds including brevilin A, arnicolide C, arnicolide D, and helenalin are proposed as candidate Q-Markers for C. minima, providing a scientific basis for elucidating its pharmacologically active substances and establishing quality evaluation criteria. Full article
(This article belongs to the Special Issue Advancement in Phytochemistry and Pharmacology of Medicinal Plants)
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