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New Advances in Molecular Toxicology
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New Advances in Molecular Toxicology

A topical collection in International Journal of Molecular Sciences (ISSN 1422-0067). This collection belongs to the section "Molecular Toxicology".

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Editor

Dr. João Pedro Silva

E-Mail Website
Collection Editor
UCIBIO, Laboratory of Toxicology, Department of Biological Sciences, Faculty of Pharmacy, University of Porto, 4050-313 Porto, Portugal
Interests: molecular toxicology; developmental neurotoxicology; new psychoactive substances; cannabinoids; oxidative stress
Special Issues, Collections and Topics in MDPI journals

Topical Collection Information

Dear Colleagues,

The Topical Collection on New Advances in Molecular Toxicology aims to collect original research contributions on the most recent advances regarding the intricate signaling mechanisms by which a wide range of chemicals (e.g., drugs, environmental pollutants, natural products) exert their harmful effects on biological systems, especially focusing on the risks posed to human health. Studies on the development of molecular toxicology-based new approach methodologies (NAMs) for toxicological risk assessment and on the Integration of molecular toxicology into regulatory decision-making are also welcome. The topics of interest include, but are not limited to:

  • Genotoxicity and mutagenicity
  • Neurotoxicity
  • Immunotoxicity
  • Epigenetic alterations
  • Developmental toxicity
  • Cardiotoxicity
  • Cancer risk assessment
  • Clinical toxicology
  • Nanotechnology toxicology
  • Environmental toxicity
  • Reproductive toxicity
  • In vitro and in vivo toxicity testing
  • Advanced omics technologies
  • Computational and predictive toxicology

Dr. João Pedro Silva
Collection 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 collection website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

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. 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

  • cardiotoxicity
  • computational toxicology
  • environmental pollutants
  • epigenetic modifications
  • immunotoxicity
  • neurotoxicity
  • new approach methodologies
  • clinical toxicology

Published Papers (7 papers)

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2025

Jump to: 2024

16 pages, 3485 KiB  
Article
Effects of Perfluorooctane Sulfonic Acid Exposure on Intestinal Microbial Community, Lipid Metabolism, and Liver Lesions in Mice
by Qianfeng Chen, Yulang Chi, Qingyu Zhu, Nana Ma, Lingli Min and Shouping Ji
Int. J. Mol. Sci. 2025, 26(6), 2648; https://doi.org/10.3390/ijms26062648 - 14 Mar 2025
Viewed by 506
Abstract
Perfluorooctane sulfonic acid (PFOS) is a persistent organic pollutant that has attracted much attention due to its wide environmental distribution and potential toxicity. Intestinal microbiota is an important regulator of host health, and its composition and metabolic function are easily interfered with by [...] Read more.
Perfluorooctane sulfonic acid (PFOS) is a persistent organic pollutant that has attracted much attention due to its wide environmental distribution and potential toxicity. Intestinal microbiota is an important regulator of host health, and its composition and metabolic function are easily interfered with by environmental pollutants. In this study, the effects of PFOS exposure on gut microbiota, lipid metabolism, and host health were investigated in mice. The results showed that PFOS exposure did not significantly change α diversity, but significantly affected the β diversity and community structure of intestinal microflora in mice. At the taxonomic level, the ratio of Firmicutes to Bacteroidetes decreased, and the changes in the abundance of specific bacteria were closely related to liver diseases and lipid metabolism disorders. PFOS exposure also interfered with the gut–liver axis mechanism, increased blood lipids and liver function related indicators in mice, and induced intestinal and liver histological lesions. This study revealed the toxic mechanism of PFOS mediated by intestinal microbiota, providing a new research perspective for health problems caused by environmental pollutants and theoretical support for the formulation of relevant public health policies. Full article
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16 pages, 2954 KiB  
Article
Novel Method for the Synthesis of Hydroxycobalamin[c-lactam] and Its Impact on Melanoma Cells In Vitro
by Zuzanna Rzepka, Magdalena Janus, Krzysztof Marciniec, Jakub Rok and Dorota Wrześniok
Int. J. Mol. Sci. 2025, 26(4), 1540; https://doi.org/10.3390/ijms26041540 - 12 Feb 2025
Viewed by 654
Abstract
The ability to over-proliferate is a hallmark of cancer cells, so inhibiting proliferation is crucial for successful cancer treatment. Vitamin B12 (cobalamin) is among the factors necessary for replication of genetic material and cell division. There is currently no cobalamin antagonist with therapeutic [...] Read more.
The ability to over-proliferate is a hallmark of cancer cells, so inhibiting proliferation is crucial for successful cancer treatment. Vitamin B12 (cobalamin) is among the factors necessary for replication of genetic material and cell division. There is currently no cobalamin antagonist with therapeutic use. Nevertheless, the idea of inhibiting cobalamin-dependent metabolic pathways as a potential anticancer strategy is of interest to many researchers. In this study, we investigated, for the first time, the impact of cobalamin deficiency on melanoma cells’ growth. To achieve a cobalamin-deficient state in cellulo, hydroxycobalamin[c-lactam] was used as an antivitamin B12. Here, we describe a new and efficient method for synthesizing this analog from hydroxycobalamin. Interestingly, no cytostatic effect of cobalamin deficiency was observed on C32 and COLO 829 melanoma cell lines. However, we show the variously enhanced pro-proliferative action of vitamin B12 towards these cells. The presented experimental model can be used for further studies on the effects of the cobalamin status on melanoma cells. Full article
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13 pages, 3439 KiB  
Article
Multidrug Resistance-Associated Proteins 3 and 5 Play a Role in the Hepatic Transport of Mercuric Conjugates of Glutathione
by Maria Eduarda Andrade Galiciolli, Lucy Joshee, Cláudia S. Oliveira, Jennifer L. Barkin and Christy C. Bridges
Int. J. Mol. Sci. 2025, 26(3), 1194; https://doi.org/10.3390/ijms26031194 - 30 Jan 2025
Viewed by 794
Abstract
Multidrug resistance proteins (MRPs) are transporters for metabolic waste and xenobiotics and are known to export a wide range of substances from renal tubular cells. This study aimed to define and characterize the transport of mercuric conjugates of glutathione (GSH-Hg-GSH) in inside-out membrane [...] Read more.
Multidrug resistance proteins (MRPs) are transporters for metabolic waste and xenobiotics and are known to export a wide range of substances from renal tubular cells. This study aimed to define and characterize the transport of mercuric conjugates of glutathione (GSH-Hg-GSH) in inside-out membrane vesicles containing MRP3 and MPR5. The functionality of the MRP3 and MRP5 vesicles was confirmed by measuring the uptake of [3H]-estradiol and 5-6-carboxy-2′,7′-dichloro-fluorescein (CDCF) over time (at 1, 5, 15, and 30 min). The uptake of GSH-Hg-GSH, containing radioactive mercury ([203Hg]), was measured in each set of membrane vesicles over time, and the findings suggest that GSH-Hg-GSH is a substrate of MRP3 and MRP5. The saturation kinetics were also analyzed by measuring the uptake of 10 µM GSH-[203Hg]-GSH in the presence of 25, 50, or 100 µM unlabeled GSH-Hg-GSH for 5 min at 37 °C. The transport of GSH-Hg-GSH by MRP3 (Vmax = 25.6 µM; Km = 2.8 µM) and MRP5 (Vmax = 32.9 µM; Km = 4.9 µM) was saturable. These findings are the first to show that MRP3 and MRP5 are capable of mediating the export of any form of mercury. Full article
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25 pages, 1761 KiB  
Review
“Omics” and Postmortem Interval Estimation: A Systematic Review
by Laura Secco, Stefano Palumbi, Pasquale Padalino, Eva Grosso, Matteo Perilli, Matteo Casonato, Giovanni Cecchetto and Guido Viel
Int. J. Mol. Sci. 2025, 26(3), 1034; https://doi.org/10.3390/ijms26031034 - 25 Jan 2025
Cited by 1 | Viewed by 1874
Abstract
Postmortem interval (PMI) estimation is a challenge of utmost importance in forensic daily practice. Traditional methods face limitations in accuracy and reliability, particularly for advanced decomposition stages. Recent advances in “omics” sciences, providing a holistic view of postmortem biochemical changes, offer promising avenues [...] Read more.
Postmortem interval (PMI) estimation is a challenge of utmost importance in forensic daily practice. Traditional methods face limitations in accuracy and reliability, particularly for advanced decomposition stages. Recent advances in “omics” sciences, providing a holistic view of postmortem biochemical changes, offer promising avenues for overcoming these challenges. This systematic review aims at investigating the role of mass-spectrometry-based “omics” approaches in PMI estimation to elucidate molecular mechanisms underlying predictable time-dependent biochemical alterations occurring after death. A systematic search was performed, adhering to PRISMA guidelines, through “free-text” protocols in the databases PubMed, SCOPUS and Web of Science. The inclusion criteria were as follows: experimental studies analyzing, as investigated samples, animal or human corpses in toto or in parts and estimating PMI through MS-based untargeted omics approaches, with full texts in the English language. Quality assessment was performed using STROBE and ARRIVE critical appraisal checklists. A total of 1152 papers were screened and 26 included. Seventeen papers adopted a proteomic approach (65.4%), nine focused on metabolomics (34.6%) and two on lipidomics (7.7%). Most papers (57.7%) focused on short PMIs (<7 days), the remaining papers explored medium (7–120 days) (30.77%) and long PMIs (>120 days) (15.4%). Muscle tissue was the most frequently analyzed substrate (34.6% of papers), followed by liver (19.2%), bones (15.4%), cardiac blood and leaking fluids (11.5%), lung, kidney and serum (7.7%), and spleen, vitreous humor and heart (3.8%). Predictable time-dependent degradation patterns of macromolecules in different biological substrates have been discussed, with special attention to molecular insights into postmortem biochemical changes. Full article
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16 pages, 3864 KiB  
Article
Effects of the Interactions Between Food Additive Titanium Dioxide and Matrices on Genotoxicity
by Su-Min Jeong, Han-Na Nam and Soo-Jin Choi
Int. J. Mol. Sci. 2025, 26(2), 617; https://doi.org/10.3390/ijms26020617 - 13 Jan 2025
Viewed by 830
Abstract
Titanium dioxide (TiO2), a white color food additive, is widely used in bakery products, candies, chewing gums, soups, and creamers. Concerns about its potential genotoxicity have recently emerged, particularly following the European Union’s ban on its usage as a food additive [...] Read more.
Titanium dioxide (TiO2), a white color food additive, is widely used in bakery products, candies, chewing gums, soups, and creamers. Concerns about its potential genotoxicity have recently emerged, particularly following the European Union’s ban on its usage as a food additive due to its genotoxicity potential. Conflicting in vitro and in vivo results regarding its genotoxicity highlight the need for further in-depth investigation. Moreover, food additives can interact with food components or biological matrices, potentially altering their biological responses and genotoxicity. In this study, we evaluated the interactions between two different sizes of additive TiO2 particles and food or biological matrices, including albumin, fetal bovine serum (FBS), and glucose. The results showed that the hydrodynamic diameters of TiO2 increased upon interaction with albumin or FBS, but not with glucose. The presence of albumin or FBS reduced TiO2-induced cytotoxicity, oxidative stress, in vitro intestinal transport, and ex vivo intestinal absorption to untreated control levels, regardless of particle size. While TiO2 caused DNA damage in intestinal Caco-2 cells, the interactions with albumin or FBS significantly reduced the DNA damage to levels comparable to untreated controls. The DNA damage was closely related to oxidative stress caused by TiO2. These findings suggest that the interaction of TiO2 with albumin or FBS, resulting in increased hydrodynamic diameters, mitigates its cytotoxicity, oxidative stress, intestinal transport, and genotoxicity. Further investigation is required to fully understand the potential genotoxicity of TiO2 in food contexts. Full article
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2024

Jump to: 2025

17 pages, 593 KiB  
Review
The Role of GFAP in Post-Mortem Analysis of Traumatic Brain Injury: A Systematic Review
by Matteo Antonio Sacco, Saverio Gualtieri, Alessandro Pasquale Tarallo, Maria Cristina Verrina, Jasmine Calafiore, Aurora Princi, Stefano Lombardo, Francesco Ranno, Alessandro Di Cello, Santo Gratteri and Isabella Aquila
Int. J. Mol. Sci. 2025, 26(1), 185; https://doi.org/10.3390/ijms26010185 - 28 Dec 2024
Cited by 1 | Viewed by 1656
Abstract
Traumatic brain injuries (TBIs) are a leading cause of mortality and morbidity, particularly in forensic settings where determining the cause of death and timing of injury is critical. Glial fibrillary acidic protein (GFAP), a biomarker specific to astrocytes, has emerged as a valuable [...] Read more.
Traumatic brain injuries (TBIs) are a leading cause of mortality and morbidity, particularly in forensic settings where determining the cause of death and timing of injury is critical. Glial fibrillary acidic protein (GFAP), a biomarker specific to astrocytes, has emerged as a valuable tool in post-mortem analyses of TBI. A PRISMA-based literature search included studies examining GFAP in human post-mortem samples such as brain tissue, cerebrospinal fluid (CSF), serum, and urine. The results highlight that GFAP levels correlate with the severity of brain injury, survival interval, and pathological processes such as astrocyte damage and blood–brain barrier disruption. Immunohistochemistry, ELISA, and molecular techniques were commonly employed for GFAP analysis, with notable variability in protocols and thresholds among studies. GFAP demonstrated high diagnostic accuracy in distinguishing TBI-related deaths from other causes, particularly when analyzed in CSF and serum. Furthermore, emerging evidence supports its role in complementing other biomarkers, such as S100B and NFL, to improve diagnostic precision. However, the review also identifies significant methodological heterogeneity and gaps in standardization, which limit the generalizability of findings. Future research should focus on establishing standardized protocols, exploring biomarker combinations, and utilizing advanced molecular tools to enhance the forensic application of GFAP. Full article
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20 pages, 1639 KiB  
Review
Embryoid Body Test: A Simple and Reliable Alternative Developmental Toxicity Test
by Inho Hwang and Eui-Bae Jeung
Int. J. Mol. Sci. 2024, 25(24), 13566; https://doi.org/10.3390/ijms252413566 - 18 Dec 2024
Viewed by 827
Abstract
The increasing emphasis on animal welfare and ethics, as well as the considerable time and cost involved with animal testing, have prompted the replacement of many aspects of animal testing with alternative methods. In the area of developmental toxicity, the embryonic stem cell [...] Read more.
The increasing emphasis on animal welfare and ethics, as well as the considerable time and cost involved with animal testing, have prompted the replacement of many aspects of animal testing with alternative methods. In the area of developmental toxicity, the embryonic stem cell test (EST) has played a significant role. The EST evaluates toxicity using mouse embryonic stem cells and somatic cells and observes the changes in heartbeat after cardiac differentiation. Nevertheless, the EST is a relatively complex testing process, and an in vitro test requires a long duration. Several attempts have been made to develop a more straightforward testing method than the EST, with improved reproducibility and accuracy, leading to the development of the embryoid body test (EBT). Unlike the EST, which involves cardiac differentiation stages, the EBT verifies toxicity by measuring the changes in the area of the embryoid body. Despite its short testing period and simple procedure, the EBT offers high accuracy and reproducibility and is fully validated through two rounds of validation, making it ready for practical application. The EBT is expected to play a crucial role in the rapidly increasing demand for alternative methods to animal testing, particularly for screening early developmental toxicity. Full article
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