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Comprehending Molecular Targets: Mechanisms and Actions in Drug Development
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Comprehending Molecular Targets: Mechanisms and Actions in Drug Development

A special issue of Targets (ISSN 2813-3137).

Deadline for manuscript submissions: 31 December 2024 | Viewed by 3031

Special Issue Editors

Dr. Cristina Manuela Dragoi

E-Mail Website
Guest Editor
Department of Biochemistry, Faculty of Pharmacy, Carol Davila University of Medicine and Pharmacy, 020956 Bucharest, Romania
Interests: nutrition; drug design; drugs mechanisms of action; nutrients-drug interactions; precision medicine; biological drugs; chronobiology; pharmacogenomics
Special Issues, Collections and Topics in MDPI journals
Dr. Ion-Bogdan Dumitrescu

E-Mail Website
Guest Editor
Faculty of Pharmacy, University of Medicine and Pharmacy “Carol Davila”, 020956 Bucharest, Romania
Interests: pharmaceutical 3D printing; computer-aided design; clinical pharmacy
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The identification and validation of drug targets both play a pivotal role in drug discovery and development. Targeted therapies have revolutionized modern medicine by providing more effective and precise treatments for various diseases. Understanding of the molecular mechanisms underlying disease pathogenesis and the interactions between drugs and their targets is crucial for the development of novel therapeutics.

In this Special Issue, we aim to explore the diverse landscape of drug targets across different therapeutic areas. We invite researchers, scientists, and clinicians to contribute original research articles, reviews, and perspectives that will advance our understanding of drugs’ targets. Topics of interest include but are not limited to:

  • Molecular mechanisms of drug action
  • Identification and validation of novel drug targets
  • Targeted therapies for cancer and other diseases
  • Target-based drug design and development
  • Emerging targets for precision medicine
  • Target engagement and pharmacodynamics
  • Biomarkers of target engagement and drug response
  • Target-based screening and drug discovery strategies
  • Personalized medicine approaches targeting specific molecular pathways
  • Challenges and opportunities in targeting complex diseases

We encourage submissions that encompass interdisciplinary approaches, ranging from basic science to clinical applications. By bringing together cutting-edge research in this field, we aim to foster collaboration and accelerate the translation of scientific discoveries into innovative therapies that improve patient outcomes.

We welcome submissions of original research articles, reviews, and perspectives for inclusion in this Special Issue on "Comprehending Molecular Targets: Mechanisms and Actions in Drug Development".

Dr. Cristina Manuela Drăgoi
Dr. Ion-Bogdan Bogdan Dumitrescu
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 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. Targets is an international peer-reviewed open access quarterly 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 1000 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

  • drug development
  • therapeutic targets
  • drug research
  • drug design
  • drug–drug interactions
  • biochemistry of drug uptake, action, and metabolism
  • drug target discovery
  • individualized therapy
  • pharmacogenomics
  • novel therapeutics
  • chronobiology
  • medicinal chemistry
  • biologics
  • personalized medicine
  • biomolecular targets
  • drugs mechanisms of action
  • pharmacodynamics
  • molecular pathways
  • pharmacokinetics
  • signal transduction pathways
  • receptor biology
  • molecular interactions
  • drug metabolism
  • structural biology
  • pharmacotherapeutics
  • molecular pharmacology
  • target identification
  • precision medicine

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

Published Papers (2 papers)

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Research

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24 pages, 13133 KiB  
Article
Repurposing FDA-Approved Drugs Against Potential Drug Targets Involved in Brain Inflammation Contributing to Alzheimer’s Disease
by Catherine Sharo, Jiayu Zhang, Tianhua Zhai, Jingxuan Bao, Andrés Garcia-Epelboim, Elizabeth Mamourian, Li Shen and Zuyi Huang
Targets 2024, 2(4), 446-469; https://doi.org/10.3390/targets2040025 - 4 Dec 2024
Viewed by 639
Abstract
Alzheimer’s disease is a neurodegenerative disease that continues to have a rising number of cases. While extensive research has been conducted on Alzheimer’s disease in the last few decades, only a few drugs have been approved by the FDA for its treatment, and [...] Read more.
Alzheimer’s disease is a neurodegenerative disease that continues to have a rising number of cases. While extensive research has been conducted on Alzheimer’s disease in the last few decades, only a few drugs have been approved by the FDA for its treatment, and even fewer aim to be curative rather than manage symptoms. There remains an urgent need to understand disease pathogenesis, as well as identify new targets for further drug discovery. Alzheimer’s disease (AD) is known to stem from the build-up of amyloid beta (Aβ) plaques, as well as tangles of tau proteins. Furthermore, inflammation in the brain is known to arise from the degeneration of tissue and the build-up of insoluble material. Therefore, there is a potential link between the pathology of AD and inflammation in the brain, especially as the disease progresses to later stages, where neuronal death and degeneration levels are higher. Proteins that are relevant to both brain inflammation and AD, thus, make ideal potential targets for therapeutics; however, the proteins need to be evaluated to determine which targets would be ideal for potential drug therapeutic treatments, or ‘druggable’ targets. Druggability analysis was conducted using two structure-based methods (i.e., drug-like density analysis and SiteMap), as well as a sequence-based approach, SPIDER. The most druggable targets were then evaluated using single-nucleus sequencing data for their clinical relevance to inflammation in AD. For each of the top five targets, small molecule docking was used to evaluate which FDA approved drugs were able to bind with the chosen proteins. The top targets included DRD2 (inhibits adenylyl cyclase activity), C9 (binds with C5B8 to form the membrane attack complex), C4b (binds with C2a to form C3 convertase), C5AR1 (a GPCR that binds C5a), and GABA-A-R (the GPCR involved in inhibiting neurotransmission). Each target had multiple potential inhibitors from the FDA-approved drug list with decent binding infinities. Among these inhibitors, two drugs were found to be top inhibitors for more than one protein target. They were C15H14N2O2 and v316 (paracetamol), originally used to treat pain/inflammation for cataracts and relieve headaches/fever, respectively. These results provide the groundwork for further experimental investigations or clinical trials. Full article
(This article belongs to the Special Issue Comprehending Molecular Targets: Mechanisms and Actions in Drug Development)
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Review

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22 pages, 5138 KiB  
Review
Potential of MMP-2 and MMP-9 Gelatinase Blockade as a Therapeutic Strategy in Fibrosarcoma Treatment: A Decadal Review
by Alireza Shoari
Targets 2024, 2(2), 104-125; https://doi.org/10.3390/targets2020007 - 5 Jun 2024
Cited by 1 | Viewed by 1641
Abstract
Fibrosarcoma represents a significant challenge in oncology, characterized by high invasiveness and a poor prognosis. Gelatinases, particularly matrix metalloproteinases MMP-2 and MMP-9, play a pivotal role in the degradation of the extracellular matrix, facilitating tumor invasion and metastasis. Inhibiting these enzymes has emerged [...] Read more.
Fibrosarcoma represents a significant challenge in oncology, characterized by high invasiveness and a poor prognosis. Gelatinases, particularly matrix metalloproteinases MMP-2 and MMP-9, play a pivotal role in the degradation of the extracellular matrix, facilitating tumor invasion and metastasis. Inhibiting these enzymes has emerged as a promising therapeutic strategy. This review evaluates the progress in the development and therapeutic potential of gelatinase inhibitors as treatments for fibrosarcoma over the last decade, highlighting molecular mechanisms and future directions. A comprehensive literature review was conducted, focusing on studies published from 2013 to 2023. Research articles and review papers relevant to gelatinase inhibition and fibrosarcoma were examined to assess the efficacy and mechanisms of gelatinase inhibitors. Gelatinase inhibitors have shown the potential to reduce tumor progression, invasion, and metastasis in fibrosarcoma. Clinical trials, although limited, have indicated that these inhibitors can be effectively integrated into existing therapeutic regimens, offering a reduction in metastatic spread and potentially improving patient survival rates. Mechanistic studies suggest that the inhibition of MMP-2 and MMP-9 disrupts critical pathways involved in tumor growth and cell invasion. Gelatinase inhibition represents a viable and promising approach to fibrosarcoma treatment. Future research should focus on developing more specific inhibitors, understanding long-term outcomes, and integrating gelatinase inhibition into multimodal treatment strategies to enhance efficacy. Full article
(This article belongs to the Special Issue Comprehending Molecular Targets: Mechanisms and Actions in Drug Development)
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