Bioactive Compounds and Advanced Analytical Approaches in Plant-Based Research: From Chemistry to Therapeutics

A special issue of Plants (ISSN 2223-7747). This special issue belongs to the section "Phytochemistry".

Deadline for manuscript submissions: 30 August 2026 | Viewed by 2412

Editors


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Guest Editor
Empresa Brasileira de Pesquisa Agropecuária-Embrapa, Brasilia, Brazil
Interests: medicinal plants; herbal drugs; functional foods; essential oils; bioactive compounds; phenolic compounds; alkaloids

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Guest Editor
Center for Exact Sciences and Technology, Vale do Acaraú University, Sobral, CE, Brazil
Interests: natural products; essential oils; drug reposition; antimicrobial activity
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Special Issue Information

Dear Colleagues,

Plant-sourced compounds such as flavonoids, alkaloids, and terpenoids are increasingly recognized for their health benefits, including anti-inflammatory, antioxidant, and antimicrobial effects. Advanced analytical methods, such as high/ultra-performance liquid chromatography (HPLC/UPLC), mass spectrometry (MS), and nuclear magnetic resonance (NMR) spectroscopy, are essential for identifying and quantifying these bioactive molecules. By utilizing these techniques, researchers can elucidate plant extracts' complex chemical profiles after isolation or employ modern approaches that eliminate fractionation steps, such as dereplication methods and metabolomics. As a result, our understanding of their therapeutic potential is achieved faster and with a higher success rate. Additionally, using computational tools like cheminformatics and systems biology facilitates a comprehensive study of plant metabolism and the mechanisms of action of their constituents. This multifaceted approach not only underscores the value of traditional knowledge but also fosters innovative drug discovery and development based on phytochemicals. As the scientific community investigates the links between plant chemistry and human health, the potential for groundbreaking therapeutic applications continues to grow, benefiting public health and the pharmaceutical industry.

Dr. Kirley Marques Canuto
Dr. Hélcio Silva Dos Santos
Guest Editors

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Keywords

  • bioactive compounds
  • plant extracts
  • analytical methods
  • therapeutic applications
  • phytochemicals
  • secondary metabolites
  • dereplication
  • pharmacological activity
  • herbal drugs

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Published Papers (1 paper)

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Research

20 pages, 2425 KB  
Article
Searching for Hypoglycemic Compounds from Brazilian Medicinal Plants Through UPLC-HRMS and Molecular Docking
by Elisabeth Mariano Batista, Gabriela Araújo Freire, Caio Bruno Rodrigues Martins, Raimundo Rigoberto Barbosa Xavier Filho, Gisele Silvestre da Silva, Nylane Maria Nunes de Alencar, Paulo Riceli Vasconcelos Ribeiro, Natalia Florencio Martins, Yasmim Aquino Milhome, Helcio Silva dos Santos, Marisa Jadna Silva Frederico, Luciana de Siqueira Oliveira and Kirley Marques Canuto
Plants 2025, 14(22), 3517; https://doi.org/10.3390/plants14223517 - 18 Nov 2025
Cited by 1 | Viewed by 1884
Abstract
Type 2 diabetes mellitus remains a major global health challenge, and natural hypoglycemic compounds are of increasing interest. Aqueous extracts from five Brazilian medicinal plants (Lippia origanoides Kunth, Amburana cearensis (Allemão) A.C. Smith, Justicia pectoralis Jacq., Libidibia ferrea (Mart. ex Tul.) L.P. [...] Read more.
Type 2 diabetes mellitus remains a major global health challenge, and natural hypoglycemic compounds are of increasing interest. Aqueous extracts from five Brazilian medicinal plants (Lippia origanoides Kunth, Amburana cearensis (Allemão) A.C. Smith, Justicia pectoralis Jacq., Libidibia ferrea (Mart. ex Tul.) L.P. Queiroz, and Spondias mombin L.) were evaluated for α-glucosidase and intestinal disaccharidase inhibition; next, they were chemically profiled by UPLC-HRMS. Extracts of L. origanoides, A. cearensis, and J. pectoralis exhibited the strongest activities, attributed to flavonoids, iridoid and cinnamic acid derivatives, phenolic acids, and saponins. Molecular docking identified hyperoside, eudesmic acid and isoquercitrin as their main α-glucosidase inhibitors, respectively. In vitro testing confirmed that isoquercitrin effectively inhibited α-glucosidase (IC50 = 0.09 mg mL−1), showing stronger activity than acarbose. ADME simulations indicated low gastrointestinal absorption but favorable intestinal enzyme-targeted properties, consistent with their pharmacological profiles. Acute toxicity in zebrafish showed low toxicity for L. origanoides and A. cearensis and moderate levels for J. pectoralis, supporting their overall safety. These findings highlight these species as promising sources of bioactive compounds for developing safe, plant-based antidiabetic agents. Full article
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