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Molecules
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Natural Bioactives for Health: Therapeutic Promise and Safety Considerations
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Natural Bioactives for Health: Therapeutic Promise and Safety Considerations

A special issue of Molecules (ISSN 1420-3049).

Deadline for manuscript submissions: closed (31 January 2026) | Viewed by 746

Special Issue Editor

Dr. Thiago Henrique Napoleão

E-Mail Website
Guest Editor
Departamento de Bioquímica, Centro de Biociências, Universidade Federal de Pernambuco, Recife 50670-901, PE, Brazil
Interests: bioactive compounds; crop protection; antimicrobial activity; insecticidal activity
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Natural bioactive compounds have long been valued for their therapeutic potential and continue to inspire the discovery and development of new drugs. This Special Issue aims to provide a comprehensive platform for original research, reviews, and perspectives that explore the pharmacological benefits and safety aspects of natural substances used in health and medicine. We invite contributions that investigate the isolation, characterization, mechanisms of action, efficacy, and toxicological evaluation of natural bioactives derived from diverse sources. Studies covering in vitro and in vivo research are welcome, with a particular emphasis on ensuring safe and effective applications in human health. Topics of interest include, but are not limited to, the following areas:

  • Pharmacological activities of natural compounds;
  • Toxicity and safety assessments;
  • Drug interactions and side effects;
  • Translational research bridging traditional knowledge and modern medicine;
  • Advances in analytical and screening methods for natural bioactives;
  • Regulatory and quality control considerations for natural health products.

This Special Issue seeks to advance understanding of how natural bioactives can be harnessed safely to meet the challenges of modern therapeutics and healthcare.

Dr. Thiago Henrique Napoleão
Guest Editor

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. 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

  • natural bioactive compounds
  • drug discovery and development
  • pharmacological activities
  • toxicological evaluation
  • analytical and screening methods
  • human health

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Further information on MDPI's Special Issue policies can be found here.

Published Papers (2 papers)

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Research

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24 pages, 5753 KB  
Article
Chemical Profiling, Molecular Docking, and Mechanistic Anticancer Activity of Pinus sylvestris Essential Oil in SH-SY5Y and U-87MG Cells
by Gökhan Dervişoğlu
Molecules 2026, 31(3), 470; https://doi.org/10.3390/molecules31030470 - 29 Jan 2026
Viewed by 156
Abstract
Pinus sylvestris essential oil (PSEO) has gained increasing interest as a natural anticancer candidate due to its bioactive phytochemical composition and potential to modulate apoptosis-related pathways. In this study, the chemical profile of PSEO was characterized by GC-MS, revealing oxygenated monoterpenes and monoterpene [...] Read more.
Pinus sylvestris essential oil (PSEO) has gained increasing interest as a natural anticancer candidate due to its bioactive phytochemical composition and potential to modulate apoptosis-related pathways. In this study, the chemical profile of PSEO was characterized by GC-MS, revealing oxygenated monoterpenes and monoterpene hydrocarbons as dominant constituents. Human brain (U-87MG) and peripheral nervous system (SH-SY5Y) tumor cells were treated with PSEO to evaluate cytotoxicity and mechanistic responses. Cell viability was assessed using the MTT assay, and 24-h IC50 values were determined as 47.93 µg/100 µL for U-87MG and 71.63 µg/100 µL for SH-SY5Y, which were subsequently used for all mechanistic analyses. IC50 exposure significantly increased intracellular ROS generation while reducing total antioxidant status, indicating oxidative stress-mediated cytotoxicity. Apoptosis-related ELISA assays demonstrated increased caspase-3 and caspase-9 activity, upregulated Bax, decreased Bcl-2, and a lowered Bcl-2/Bax ratio, collectively supporting the activation of the intrinsic mitochondrial apoptosis pathway. Molecular docking provided in silico evidence of favorable binding interactions between selected PSEO-associated ligands and apoptotic targets, consistent with experimentally observed biochemical outcomes. Overall, the findings suggest that PSEO exerts dose- and time-dependent anticancer effects and promotes mitochondrial apoptosis in U-87MG and SH-SY5Y cells, supporting its potential as a natural therapeutic candidate. Full article
(This article belongs to the Special Issue Natural Bioactives for Health: Therapeutic Promise and Safety Considerations)
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Review

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19 pages, 1187 KB  
Review
Preclinical Risk Assessment of Plant Lectins with Pharmacological Applications: A Narrative Review
by Amanda de Oliveira Marinho, Maria Nívea Bezerra da Silva, Suéllen Pedrosa da Silva, Isabella Coimbra Vila Nova, Jainaldo Alves da Costa, Patrícia Maria Guedes Paiva, Lidiane Pereira de Albuquerque, Emmanuel Viana Pontual, Leydianne Leite de Siqueira Patriota and Thiago Henrique Napoleão
Molecules 2026, 31(1), 55; https://doi.org/10.3390/molecules31010055 - 23 Dec 2025
Viewed by 419
Abstract
Plants have been used for medicinal purposes both intuitively and based on traditional knowledge for centuries. Recently, however, there has been a significant increase in research focused on medicinal plants to meet the growing demands of the pharmaceutical industry. As a result, it [...] Read more.
Plants have been used for medicinal purposes both intuitively and based on traditional knowledge for centuries. Recently, however, there has been a significant increase in research focused on medicinal plants to meet the growing demands of the pharmaceutical industry. As a result, it has become essential to evaluate the safety of natural products for human use. This review examines in vitro and in vivo toxicity studies of lectins, a class of plant proteins with pharmacological applications. The reviewed data indicate that many of these proteins do not appear to be toxic to human and animal cells, nor when administered to rodents through oral, intraperitoneal, or intravenous routes. However, some lectins have shown toxicity under certain conditions, such as depending on the administration route, dose, and treatment duration. These adverse effects may include behavioral changes, antinutritional effects, hepatotoxicity, nephrotoxicity, pancreatic hypertrophy, allergic reactions, and even death. Therefore, it is crucial to prioritize toxicological studies to ensure the safety of these plant proteins as potential drug candidates in the future. Full article
(This article belongs to the Special Issue Natural Bioactives for Health: Therapeutic Promise and Safety Considerations)
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