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Novel Molecular Targets and Prognostic Markers Focused on Improving Quality in Healthcare

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Molecular Pathology, Diagnostics, and Therapeutics".

Deadline for manuscript submissions: 20 August 2025 | Viewed by 6885

Special Issue Editor

Dr. Ion Cristóbal

E-Mail Website
Guest Editor
Translational Oncology Division, Oncohealth Institute, IIS-Fundación Jiménez Díaz-UAM, 28040 Madrid, Spain
Interests: oncology; hematology; patient outcome; prognostic markers; healthcare quality; innovation; molecular processes
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Despite the continuous advances in our understanding of the molecular basis that governs different pathologies, the implementation of scientific results in clinical routine is a slow process that entails long delays in which resistance to change plays a determining role.

For this Special Issue, we welcome contributions focused on highly relevant research studies that can potentially improve the quality and efficacy of the healthcare process after the implementation of scientific advances based on the detection of new molecular targets and novel prognostic markers in different specialties with highly prevalent pathologies such as oncology and cardiology, among others. Since IJMS is a journal of molecular science, purely clinical studies will not be suitable. However, clinical or pure model submissions with biomolecular experiments are welcomed.

This Special Issue is supervised by Dr. Ion Cristóbal and assisted by our topical advisory panel member, Dr. Bernadette Pfang (Fundación Jiménez Díaz Hospital, Madrid, Spain).

Dr. Ion Cristóbal
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 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

  • prognostic markers
  • molecular targets
  • diagnostic tools

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Published Papers (5 papers)

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Research

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12 pages, 1298 KiB  
Article
Unveiling Dynamic Hotspots in Protein–Ligand Binding: Accelerating Target and Drug Discovery Approaches
by Alfonso Trezza, Anna Visibelli, Bianca Roncaglia, Roberta Barletta, Stefania Iannielli, Linta Mahboob, Ottavia Spiga and Annalisa Santucci
Int. J. Mol. Sci. 2025, 26(9), 3971; https://doi.org/10.3390/ijms26093971 - 23 Apr 2025
Viewed by 212
Abstract
Computational methods have transformed target and drug discovery, significantly accelerating the identification of biological targets and lead compounds. Despite its limitations, in silico molecular docking represents a foundational tool. Molecular Dynamics (MD) simulations, employing accurate force fields, provide near-realistic insights into a compound’s [...] Read more.
Computational methods have transformed target and drug discovery, significantly accelerating the identification of biological targets and lead compounds. Despite its limitations, in silico molecular docking represents a foundational tool. Molecular Dynamics (MD) simulations, employing accurate force fields, provide near-realistic insights into a compound’s behavior within a biological target. However, docking and MD predictions may be unreliable without precise knowledge of the target binding site. Through MD simulations, we investigated 100 co-crystal structures of biological targets complexed with active compounds, identifying key structural and energy dynamic features that govern target–ligand interactions. Our analysis provides a detailed quantitative description of these parameters, offering critical validation for improving the predictive reliability of docking and MD simulations. This work provides a robust framework for refining early-stage drug discovery and target identification. Full article
(This article belongs to the Special Issue Novel Molecular Targets and Prognostic Markers Focused on Improving Quality in Healthcare)
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12 pages, 1142 KiB  
Article
Evaluating Apelin as a Potential Biomarker in Major Depressive Disorder: Its Correlation with Clinical Symptomatology
by Enkhmurun Chibaatar, Rintarou Fujii, Atsuko Ikenouchi, Naomichi Okamoto, Tomoya Natsuyama, Gaku Hayasaki, Takahiro Shinkai and Reiji Yoshimura
Int. J. Mol. Sci. 2024, 25(24), 13663; https://doi.org/10.3390/ijms252413663 - 20 Dec 2024
Viewed by 669
Abstract
To date, only a limited number of studies have investigated the potential effects of apelin on mood regulation and emotional behavior. Therefore, this study investigated apelin’s role in major depressive disorder (MDD) by comparing the serum and plasma apelin concentrations between 30 patients [...] Read more.
To date, only a limited number of studies have investigated the potential effects of apelin on mood regulation and emotional behavior. Therefore, this study investigated apelin’s role in major depressive disorder (MDD) by comparing the serum and plasma apelin concentrations between 30 patients with MDD and 30 healthy controls (HCs), and the correlated serum and plasma apelin levels and the severity of depressive symptoms using the Montgomery–Åsberg Depression Rating Scale (MADRS). Blood samples were collected following 12 h of fasting, and the apelin levels were measured using an ELISA kit. The serum apelin concentrations showed no significant difference between the MDD and HC groups, while the plasma apelin levels were significantly lower in the MDD group (p = 0.002). Among the patients with MDD, a positive moderate correlation was observed between the total MADRS scores and plasma apelin levels (r = 0.439), with statistical significance (p < 0.05). Additionally, significant positive correlations (p < 0.05) were found between both the serum and plasma apelin levels and the MADRS subscales 5 (reduced appetite) and 6 (concentration difficulties). These preliminary findings, although not definitive, suggest that apelin profiles may help to identify distinct subgroups within MDD patients, warranting further investigation into the different apelin isoforms and their associations in different populations of MDD patients. Full article
(This article belongs to the Special Issue Novel Molecular Targets and Prognostic Markers Focused on Improving Quality in Healthcare)
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19 pages, 4491 KiB  
Article
Identification of a Novel Subset of Human Airway Epithelial Basal Stem Cells
by Christopher Cheng, Parul Katoch, Yong-Ping Zhong, Claire T. Higgins, Maria Moredock, Matthew E. K. Chang, Mark R. Flory, Scott H. Randell and Philip R. Streeter
Int. J. Mol. Sci. 2024, 25(18), 9863; https://doi.org/10.3390/ijms25189863 - 12 Sep 2024
Viewed by 1517
Abstract
The basal cell maintains the airway’s respiratory epithelium as the putative resident stem cell. Basal cells are known to self-renew and differentiate into airway ciliated and secretory cells. However, it is not clear if every basal cell functions as a stem cell. To [...] Read more.
The basal cell maintains the airway’s respiratory epithelium as the putative resident stem cell. Basal cells are known to self-renew and differentiate into airway ciliated and secretory cells. However, it is not clear if every basal cell functions as a stem cell. To address functional heterogeneity amongst the basal cell population, we developed a novel monoclonal antibody, HLO1-6H5, that identifies a subset of KRT5+ (cytokeratin 5) basal cells. We used HLO1-6H5 and other known basal cell-reactive reagents to isolate viable airway subsets from primary human airway epithelium by Fluorescence Activated Cell Sorting. Isolated primary cell subsets were assessed for the stem cell capabilities of self-renewal and differentiation in the bronchosphere assay, which revealed that bipotent stem cells were, at minimum 3-fold enriched in the HLO1-6H5+ cell subset. Crosslinking-mass spectrometry identified the HLO1-6H5 target as a glycosylated TFRC/CD71 (transferrin receptor) proteoform. The HLO1-6H5 antibody provides a valuable new tool for identifying and isolating a subset of primary human airway basal cells that are substantially enriched for bipotent stem/progenitor cells and reveals TFRC as a defining surface marker for this novel cell subset. Full article
(This article belongs to the Special Issue Novel Molecular Targets and Prognostic Markers Focused on Improving Quality in Healthcare)
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Review

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15 pages, 1054 KiB  
Review
Mitochondria and Acute Leukemia: A Clinician’s Perspective
by Prasad Iyer, Shaista Shabbir Jasdanwala, Karanpreet Bhatia and Shruti Bhatt
Int. J. Mol. Sci. 2024, 25(17), 9704; https://doi.org/10.3390/ijms25179704 - 7 Sep 2024
Cited by 1 | Viewed by 2030
Abstract
Acute leukemia is a group of aggressive hematological malignancies, with acute lymphoblastic leukemia (ALL) and acute myeloid leukemia (AML) being the most common types. The biology of acute leukemia involves complex genetic and epigenetic alterations that lead to uncontrolled cell proliferation and resistance [...] Read more.
Acute leukemia is a group of aggressive hematological malignancies, with acute lymphoblastic leukemia (ALL) and acute myeloid leukemia (AML) being the most common types. The biology of acute leukemia involves complex genetic and epigenetic alterations that lead to uncontrolled cell proliferation and resistance to apoptosis. Mitochondrial dysfunction is a feature of acute leukemia that results in altered energy production, unregulated cell death pathways, and increased cancer cell survival. Apoptosis, particularly via the mitochondrial pathway, is crucial for cellular homeostasis and cancer prevention. In acute leukemia, disruption of apoptosis is pivotal in disease development and progression, with elevated levels of anti-apoptotic proteins conferring a survival advantage to leukemia cells and promoting resistance to conventional therapies. Targeting mitochondrial apoptosis using BH3 mimetics and anti-apoptotic protein inhibitors is a viable therapeutic strategy. Alterations in the mitochondrial membrane potential, metabolism, and dynamics also contribute to the pathogenesis of acute leukemia. Continued research is vital for developing novel therapies and enhancing survival outcomes in patients with acute leukemia while minimizing the long-term adverse effects of treatment. In this narrative review, we provide a birds-eye view of the available scientific literature on the importance of mitochondria in acute leukemia, and discuss the role of BH3 mimetics in targeting the mitochondrial internal apoptotic machinery. Full article
(This article belongs to the Special Issue Novel Molecular Targets and Prognostic Markers Focused on Improving Quality in Healthcare)
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18 pages, 855 KiB  
Review
HIPK2 in Colon Cancer: A Potential Biomarker for Tumor Progression and Response to Therapies
by Alessandra Verdina, Alessia Garufi, Valerio D’Orazi and Gabriella D’Orazi
Int. J. Mol. Sci. 2024, 25(14), 7678; https://doi.org/10.3390/ijms25147678 - 12 Jul 2024
Viewed by 1935
Abstract
Colon cancer, one of the most common and fatal cancers worldwide, is characterized by stepwise accumulation of specific genetic alterations in tumor suppressor genes or oncogenes, leading to tumor growth and metastasis. HIPK2 (homeodomain-interacting protein kinase 2) is a serine/threonine protein kinase and [...] Read more.
Colon cancer, one of the most common and fatal cancers worldwide, is characterized by stepwise accumulation of specific genetic alterations in tumor suppressor genes or oncogenes, leading to tumor growth and metastasis. HIPK2 (homeodomain-interacting protein kinase 2) is a serine/threonine protein kinase and a “bona fide” oncosuppressor protein. Its activation inhibits tumor growth mainly by promoting apoptosis, while its inactivation increases tumorigenicity and resistance to therapies of many different cancer types, including colon cancer. HIPK2 interacts with many molecular pathways by means of its kinase activity or transcriptional co-repressor function modulating cell growth and apoptosis, invasion, angiogenesis, inflammation and hypoxia. HIPK2 has been shown to participate in several molecular pathways involved in colon cancer including p53, Wnt/β-catenin and the newly identified nuclear factor erythroid 2 (NF-E2) p45-related factor 2 (NRF2). HIPK2 also plays a role in tumor–host interaction in the tumor microenvironment (TME) by inducing angiogenesis and cancer-associated fibroblast (CAF) differentiation. The aim of this review is to assess the role of HIPK2 in colon cancer and the underlying molecular pathways for a better understanding of its involvement in colon cancer carcinogenesis and response to therapies, which will likely pave the way for novel colon cancer therapies. Full article
(This article belongs to the Special Issue Novel Molecular Targets and Prognostic Markers Focused on Improving Quality in Healthcare)
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