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Molecular Insights into Medicinal Fungi and Plants: From Bioactive Compounds to Therapeutic Mechanisms

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Bioactives and Nutraceuticals".

Deadline for manuscript submissions: 20 October 2026 | Viewed by 999

Editors


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Guest Editor
Institute for Biological Research “Siniša Stanković”—National Institute of the Republic of Serbia, University of Belgrade, Bulevar Despota Stefana 142, 11108 Belgrade, Serbia
Interests: mushrooms; mycomedicines; mycofood; fungi
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

This Special Issue invites original research articles, comprehensive reviews, and short communications that explore the molecular-level properties and therapeutic potential of medicinal fungi and plants. We welcome contributions that span chemical profiling (e.g., metabolomics, LC-HRMS/MS, GC-MS), bioactivity screening (e.g., antioxidant, antimicrobial, anti-biofilm, anti-inflammatory, cytotoxicity, wound-healing), mechanistic investigations (e.g., network pharmacology, molecular docking, MM/PBSA, gmx_MMPBSA), formulation development (e.g., extracts, powders, sachets), as well as translational aspects such as in vitro/in vivo validation, delivery systems, and clinical relevance. Interdisciplinary studies linking plant/fungal-derived bioactives to molecular pathways, omics signatures, and therapeutic outcomes are especially encouraged. By bringing together cutting-edge analytical chemistry, molecular biology, pharmacology, and formulation science, this Special Issue aims to advance our understanding of how natural-source fungi and plants can contribute to molecular medicine and bioactive-driven therapeutic discovery.

Topics of interest include (but are not limited to) the following:

  • Isolation and structural elucidation of fungal and plant secondary metabolites;
  • Metabolomic or proteomic fingerprinting of medicinal fungi/plants;
  • Bioactivity assays and mechanistic studies of extracts or purified compounds;
  • Molecular docking, in silico modelling, and network pharmacology of natural compounds;
  • Development of novel formulations or delivery systems of fungal/plant bioactives;
  • Safety, toxicology, and pharmacokinetics of fungal/plant-derived therapeutics;
  • Synergistic interactions (fungi + plants or plant–plant / plant–fungi) in therapeutic contexts;
  • Translational research toward clinical or nutraceutical/functional food applications.

Dr. Jasmina Glamočlija
Dr. Ana Ćirić
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. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. There is an Article Processing Charge (APC) for publication in this open access journal. For details about the APC please see here. 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

  • medicinal fungi
  • medicinal plants
  • molecular mechanisms
  • bioactive compounds
  • metabolomics
  • phytochemistry
  • natural products
  • network pharmacology
  • molecular docking
  • functional foods
  • therapeutic development

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Published Papers (1 paper)

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Research

14 pages, 4352 KB  
Article
Bioactivity-Guided Fractionation of the Bidah Pomegranate Landrace Identifies a Bioactive Fraction Inducing Mitochondria-Associated Apoptotic Responses in Colorectal Cancer Cells
by Saheed O. Anifowose, Nada M. Alattas, Khalid M. AL-Rohily and Abdalrhaman M. Salih
Int. J. Mol. Sci. 2026, 27(6), 2808; https://doi.org/10.3390/ijms27062808 - 20 Mar 2026
Viewed by 653
Abstract
Pomegranate (Punica granatum L.) has attracted considerable attention for its anticancer potential; however, mechanistic studies employing bioactivity-guided fractions from geographically distinct landraces remain limited. Building on our previous report on the bioactivity and phytochemical profile of the Bidah pomegranate landrace, the present [...] Read more.
Pomegranate (Punica granatum L.) has attracted considerable attention for its anticancer potential; however, mechanistic studies employing bioactivity-guided fractions from geographically distinct landraces remain limited. Building on our previous report on the bioactivity and phytochemical profile of the Bidah pomegranate landrace, the present study applied bioactivity-guided fractionation to enrich biologically active constituents and investigate mitochondria-associated cellular responses in colorectal cancer cells (Caco-2 cells). A semi-polar fraction from Bidah pomegranate crude extract (B6) was evaluated for its antioxidant activity, cell viability, cell death morphology, mitochondrial membrane potential, transcriptional modulation of key regulatory genes, and phytochemical composition. High-performance liquid chromatography (HPLC) profiling of B6 revealed a chromatographic fingerprint with seven detectable peaks, including two major peaks at retention times of 7.577 and 8.602 min, together accounting for approximately 66% of the total chromatographic area, indicating the enrichment of major constituents. Consistent with this enrichment, the fraction exhibited potent DPPH radical scavenging activity at a microgram-range IC50, suggesting the presence of redox-active phytochemicals. In cell-based assays, the fraction induced a dose-dependent reduction in metabolic viability, while acridine orange/propidium iodide (AO/PI) staining of Caco-2 cells revealed delayed, regulated cell death. JC-1 staining demonstrated a pronounced loss of mitochondrial membrane potential, consistent with early mitochondrial dysfunction. Gene expression analysis further revealed modulation of pro- and anti-apoptotic genes, alongside cell-cycle-associated and oxidative stress/inflammatory markers. Gas chromatography–mass spectrometry (GC–MS) profiling identified polyacetylenes, sterol derivatives, fatty acid esters, and terpenoids, providing chemical context for the observed mitochondrial perturbation. Collectively, the findings support a mitochondria-centered, regulated cell death response driven by a multi-component phytochemical matrix. This study advances mechanistic insight beyond crude extract analysis and highlights the sustainable biomedical value of the Bidah pomegranate landrace as an underutilized regional resource. Full article
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