Search for Articles:
Title / Keyword
Author / Affiliation / Email
Journal
Article Type
 
 
Advanced Search
 
Section
Special Issue
Volume
Issue
Number
Page
 
8.6
4.6
Journals
Molecules
Special Issues
Molecular Approaches to Drug Design: From Target Identification to Delivery
molecules-logo
Submit to Special Issue Submit Abstract to Special Issue Review for Molecules Propose a Special Issue

Journal Menu

► Journal Menu

Journal Browser

► Journal Browser
share announcement

Molecular Approaches to Drug Design: From Target Identification to Delivery

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Medicinal Chemistry".

Deadline for manuscript submissions: 31 December 2025 | Viewed by 1341

Special Issue Editor

Prof. Dr. Michio Kurosu

E-Mail Website
Guest Editor
Department of Pharmaceutical Sciences, College of Pharmacy, University of Tennessee Health Science Center, 881 Madison Avenue, Memphis, TN 38163, USA
Interests: anticancer drugs; medicinal chemistry; drug design; drug-resistant pathogens; and drug targets
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Modern drug (small molecule) design and development integrate medicinal chemistry, structural biology, computational modeling, toxicology, pharmacology, and drug formulation, including drug delivery. Each discipline is supported by basic and fundamental organic and inorganic chemistry, theoretical sciences, biochemistry, biology, and medicine. In addition to the development of small drug molecules via well-structured plans, protein-based therapeutics (e.g., monoclonal antibody drugs) have been successfully used in clinics and recognized for their potential. Increasing PCR-based techniques and whole-genome sequencing advance personalized (precision) medicine, potentially optimizing therapeutic outcomes. More selective small-molecule drugs, antibody drugs, and targeted therapies will change the landscape of healthcare in the next decade. The aim of this “Special Issue“ is to highlight the advancements in drug design and discovery. This Special Issue may include original research articles and reviews on drug targets, medicinal chemistry, chemical entities, assays, antibodies, computational chemistry, pharmacokinetic and dynamic aspects, and new strategies to use approved drugs.

Prof. Dr. Michio Kurosu
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. 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

  • drug design
  • target identification
  • drug delivery
  • protein-based therapeutics
  • targeted therapy

Benefits of Publishing in a Special Issue

  • Ease of navigation: Grouping papers by topic helps scholars navigate broad scope journals more efficiently.
  • Greater discoverability: Special Issues support the reach and impact of scientific research. Articles in Special Issues are more discoverable and cited more frequently.
  • Expansion of research network: Special Issues facilitate connections among authors, fostering scientific collaborations.
  • External promotion: Articles in Special Issues are often promoted through the journal's social media, increasing their visibility.
  • Reprint: MDPI Books provides the opportunity to republish successful Special Issues in book format, both online and in print.

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

Published Papers (2 papers)

Download All Papers
Order results
Result details
Show export options expand_more Show export options expand_less
Select all
Export citation of selected articles as:

Research

Jump to: Review

22 pages, 3919 KB  
Article
Precision Target Discovery for Migraine: An Integrated GWAS-eQTL-PheWAS Pipeline
by Xianting Liu, Qingming Liu, Haoning Zhu, Xiao Zhou, Xinyao Li, Ming Hu, Fu Peng, Jianguang Ji and Shu Yang
Molecules 2025, 30(19), 3921; https://doi.org/10.3390/molecules30193921 - 29 Sep 2025
Viewed by 598
Abstract
Migraine is a complex neurological disorder that severely compromises quality of life. Current therapies remain inadequate, creating an urgent need for precision medicine approaches. To bridge this gap, we integrated genome-wide association studies (GWASs) and multi-tissue expression quantitative trait loci (eQTL) data. Using [...] Read more.
Migraine is a complex neurological disorder that severely compromises quality of life. Current therapies remain inadequate, creating an urgent need for precision medicine approaches. To bridge this gap, we integrated genome-wide association studies (GWASs) and multi-tissue expression quantitative trait loci (eQTL) data. Using Mendelian randomization (SMR/HEIDI) to identify putatively causal genes, followed by colocalization analysis, protein–protein interaction networks, and gene enrichment, we prioritized druggable targets. Phenome-wide association studies (PheWASs) further assessed their potential safety profiles. We identified 31 migraine-associated genes in whole blood, 20 in brain tissue, and 9 genes shared by both whole blood and brain regions. Among 13 druggable genes identified from the DGIdb and supporting literature, 10 passed colocalization validation. Eight genes (TGFB3, CHRNB1, BACE2, THRA, NCOR2, NR1D1, CHD4, REV3L) showed interactions with known drug targets, enabling the computational prediction of 41 potential repurposable drugs. Based on target druggability, PPI (protein–protein interaction) and favorable PheWAS profiles, NR1D1, THRA, NCOR2, and CHD4 are prioritized for drug development. Additionally, MICU1, UFL1, LY6G5C, and PPP1CC emerged as novel pathophysiological factors. This study establishes a multi-omics framework for precision migraine therapy, translating genetic insights into clinically actionable targets. Full article
(This article belongs to the Special Issue Molecular Approaches to Drug Design: From Target Identification to Delivery)
►▼ Show Figures

Figure 1

Review

Jump to: Research

17 pages, 1133 KB  
Review
DPAGT1—Perspective as an Anticancer Drug Target
by Michio Kurosu and Katsuhiko Mitachi
Molecules 2025, 30(20), 4049; https://doi.org/10.3390/molecules30204049 - 11 Oct 2025
Viewed by 381
Abstract
Tunicamycins trigger endoplasmic reticulum (ER) stress by inhibiting DPAGT1 (dolichyl-phosphate N-acetylglucosamine-phosphotransferase 1): the rate-limiting enzyme that initiates N-glycan biosynthesis. Aberrant N-glycan branching is a hallmark of many solid tumors, and distinct cancer-associated N-glycan structures have been identified. Evidence shows [...] Read more.
Tunicamycins trigger endoplasmic reticulum (ER) stress by inhibiting DPAGT1 (dolichyl-phosphate N-acetylglucosamine-phosphotransferase 1): the rate-limiting enzyme that initiates N-glycan biosynthesis. Aberrant N-glycan branching is a hallmark of many solid tumors, and distinct cancer-associated N-glycan structures have been identified. Evidence shows that tunicamycins suppress key oncogenic processes, including proliferation, apoptosis resistance, metastasis, and angiogenesis. Yet their high systemic toxicity and lack of selectivity have precluded therapeutic application, and the structural complexity of tunicamycins has hindered chemical modification to mitigate these liabilities. No clinically translatable antitumor efficacy has been demonstrated in animal models. This review underscores the emergence of DPAGT1 as a novel and tractable anticancer target, outlining milestones in the discovery of selective inhibitors and their potential to transform cancer therapy. We discuss how advances in DPAGT1 inhibitor design may overcome limitations of tunicamycins and pave the way toward glycosylation-targeted oncology therapeutics. Full article
(This article belongs to the Special Issue Molecular Approaches to Drug Design: From Target Identification to Delivery)
►▼ Show Figures

Graphical abstract

Show export options expand_more Show export options expand_less
Select all
Export citation of selected articles as:
 
Displaying articles 1-2
Back to TopTop