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Molecules
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Plant Bioactives in Human Health: From Phytochemistry to Molecular Mechanisms
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Plant Bioactives in Human Health: From Phytochemistry to Molecular Mechanisms

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

Deadline for manuscript submissions: 30 July 2026 | Viewed by 904

Editors

Prof. Dr. Valeria Naponelli

E-Mail Website
Guest Editor
Department of Medicine and Surgery, University of Parma, 43125 Parma, Italy
Interests: autophagy; cancer; biomarkers; catechins; polyphenol; flavanols; green tea; antioxidants
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Elena Ferrari

E-Mail Website
Guest Editor
Department of Medicine and Surgery, University of Parma, 43125 Parma, Italy
Interests: metabolism in health and disease; metabolomics; biomarkers in disease diagnostics; allergenic proteins; protein structure and function
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

We are pleased to invite submissions to the Special Issue of Molecules entitled ‘Plant Bioactives in Human Health: From Phytochemistry to Molecular Mechanisms.’ This Special Issue is dedicated to publishing high-quality scientific contributions that advance our understanding of how plant-derived compounds—commonly referred to as phytochemicals—affect human health at the molecular level.

We welcome original research and comprehensive reviews that present novel findings on the following:

  • Bio-accessibility, bioavailability, absorption, metabolism, and bioactivity of phytochemicals
  • Their interactions with the human microbiota
  • Mechanisms of action underlying their physiological effects
  • Innovative formulations that enhance efficacy and stability
  • Safety assessments for use as food ingredients or additives

Special emphasis will be given to studies exploring the role of phytochemicals in:

  • Regulating key physiological functions
  • Modulating disease pathways and pathogenesis
 

Prof. Dr. Valeria Naponelli
Prof. Dr. Elena Ferrari
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-anonymized peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly 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 2700 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

  • bioactive compounds
  • bioavailability
  • extraction methods
  • biological activities
  • cell signalling
  • functional applications
  • nutraceuticals
  • human metabolism
  • toxicity
  • bioactive-gut microbiota relationships

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Published Papers (2 papers)

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16 pages, 2023 KB  
Article
Chemical Composition and Bioactivities of Turkish Leonurus Species (Lamiaceae) Extracts: Antioxidant, Antimicrobial, and Antiproliferative Potential
by Nagehan Saltan, Yavuz Bülent Köse, Fatih Göger, Derya Osmaniye and Gökalp İşcan
Molecules 2026, 31(10), 1708; https://doi.org/10.3390/molecules31101708 - 18 May 2026
Viewed by 425
Abstract
The genus Leonurus L. is renowned for its diverse secondary metabolites with significant pharmacological value; however, the chemical biodiversity and biological potential of its indigenous members in Türkiye remain largely unexplored. This study investigates four species (L. cardiaca, L. quinquelobatus, [...] Read more.
The genus Leonurus L. is renowned for its diverse secondary metabolites with significant pharmacological value; however, the chemical biodiversity and biological potential of its indigenous members in Türkiye remain largely unexplored. This study investigates four species (L. cardiaca, L. quinquelobatus, L. glaucescens, and L. persicus) to elucidate their phytochemical architecture and therapeutic capacities. Characterization of the ethanol, methanol, and aqueous (5% infusion) extracts via HPLC-MS/MS identified verbascoside, genkwanin, and caffeoylquinic acids as the major representative bioactive constituents across the studied Leonurus species. The extracts exhibited measurable biological activity, with L. cardiaca displaying the highest antioxidant profile (EC50 0.117 ± 0.01 mg/mL for DPPH, 2.731 ± 0.01 mM/Trolox for ABTS), correlating with its phenolic content. Notably, the extracts demonstrated notable anticandidal activity (MIC 0.1–1 mg/mL) and negligible to moderate antibacterial effects, alongside varying levels of susceptibility against breast (MCF7) and glioma (C6) cancer cell lines. These effects showed differentiation in toxicity compared to lung (A549) cells. This investigation provides scientific evidence supporting the traditional medicinal use of Leonurus species while highlighting their potential as standardized sources for the pharmaceutical and nutraceutical sectors. Our results lay a robust foundation for future bioactivity-guided isolation studies to further elucidate the molecular mechanisms behind their differential biological effects. Full article
(This article belongs to the Special Issue Plant Bioactives in Human Health: From Phytochemistry to Molecular Mechanisms)
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Review

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40 pages, 7774 KB  
Review
Bitter Compounds in Medicinal Food Plants Based on Traditional Chinese Medicine: Analysis and Regulation Strategies from Chemical Structure to Perception Mechanisms
by Yuanyuan Li, Nana Feng, Di Yang, Qian Zhang, Xinyan Zhao, Xing Yang, Qingya Yu, Zhaotong Cong, Tingting Kuang, Ce Tang and Yi Zhang
Molecules 2026, 31(12), 2192; https://doi.org/10.3390/molecules31122192 (registering DOI) - 22 Jun 2026
Abstract
Bitter phytochemicals, including alkaloids, terpenoids, and bitter glycosides, are abundant in medicinal food plants and exhibit well-documented anti-inflammatory, hypoglycemic, and other bioactivities relevant to human health. However, the inherent bitterness of these compounds presents a significant sensory barrier to patient compliance and limits [...] Read more.
Bitter phytochemicals, including alkaloids, terpenoids, and bitter glycosides, are abundant in medicinal food plants and exhibit well-documented anti-inflammatory, hypoglycemic, and other bioactivities relevant to human health. However, the inherent bitterness of these compounds presents a significant sensory barrier to patient compliance and limits their application as functional food ingredients. This review provides a comprehensive and interdisciplinary synthesis of current knowledge on bitter compounds in medicinal food plants, integrating perspectives from phytochemistry, molecular pharmacology, and sensory science. We summarize the major chemical classes of bitter phytochemicals, critically evaluate methods for their isolation and identification—from classical sensory-guided fractionation to modern computational approaches such as molecular docking and metabolomics—and analyze three principal strategies for bitterness regulation: physical removal, biological transformation, and sensory modulation (including molecular inclusion and TAS2R receptor blocking). We also briefly touch upon the extraoral expression of TAS2Rs and there suggested links to local immune responses and metabolic regulation, noting that this may be relevant to the concept of “taste–bioactivity homology.” The review further highlights ongoing challenges, such as the identification of unknown bitter compounds and the lack of standardized sensory evaluation systems, and outlines possible directions for improving bitterness analysis and regulation in medicinal food plants. Full article
(This article belongs to the Special Issue Plant Bioactives in Human Health: From Phytochemistry to Molecular Mechanisms)
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