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Molecular Insights on Drug Discovery, Design, and Treatment

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Molecular Pharmacology".

Deadline for manuscript submissions: 20 September 2025 | Viewed by 4072

Special Issue Editor


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Guest Editor
College of Medicine, National Taiwan University, Taipei, Taiwan
Interests: nephrology; food safety and toxicology

Special Issue Information

Dear Colleagues,

In the context of today's growing global health challenges, the need for rapid development of effective and safe therapeutics for a wide range of diseases is stronger than ever. Recent insights into drug discovery, design, and treatment are providing new ideas and approaches, particularly in the following key areas:

  1. Drug development strategy;
  2. Identification of new drug targets;
  3. Drug-protein interaction;
  4. Multidisciplinary collaboration.

Drug discovery and development needs to integrate a knowledge of pharmacology, toxicology, molecular biology and other disciplines and promote the synergy between scientific research and industrial activities to find new drugs and treatments in cancer, cardiovascular diseases, neurological diseases, metabolic diseases and microbial infections. By incorporating the latest insights in drug discovery, design, and treatment, we hope to drive innovation and collaboration among the scientific community in regard to drug development, leading to safer and more effective treatment options.

Please note that papers published in the International Journal of Molecular Sciences are encouraged to include results at the molecular level. Both original research articles and reviews on these topics are welcome.

Prof. Dr. Chih Kang Chiang
Guest Editor

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Keywords

  • antibacterial drugs
  • antiviral drugs
  • antioxidant drugs
  • anti-inflammatory drugs
  • antibiotics
  • anticancer drugs
  • drug discovery
  • drug development
  • drug design
  • drug delivery
  • drug carriers
  • nanoparticles
  • molecular modeling
  • molecular mechanisms
  • crystallography
  • pharmacokinetics
  • molecular activity
  • inhibitors and antagonists

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Published Papers (2 papers)

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Review

20 pages, 2563 KiB  
Review
Chronic Antibody-Mediated Rejection and Plasma Cell ER Stress: Opportunities and Challenges with Calcineurin Inhibitors
by Ching-Yi Tsai, Chih-Yuan Lee, Jia-Huang Chen and Chih-Kang Chiang
Int. J. Mol. Sci. 2025, 26(6), 2711; https://doi.org/10.3390/ijms26062711 - 18 Mar 2025
Viewed by 1689
Abstract
Chronic alloantibody-mediated rejection (cAMR) remains a major challenge in transplant immunology, with no FDA-approved targeted therapies currently available. Despite advancements in cellular immunosuppression, effective strategies to mitigate alloantibody-mediated rejection are still lacking. This review provides a comprehensive overview of transplant rejection with a [...] Read more.
Chronic alloantibody-mediated rejection (cAMR) remains a major challenge in transplant immunology, with no FDA-approved targeted therapies currently available. Despite advancements in cellular immunosuppression, effective strategies to mitigate alloantibody-mediated rejection are still lacking. This review provides a comprehensive overview of transplant rejection with a particular focus on the pathophysiology and therapeutic landscape of cAMR. We highlight the role of plasma cell-driven alloantibody production and its susceptibility to endoplasmic reticulum (ER) stress, a pathway with potential for therapeutic intervention. Special attention is given to calcineurin inhibitors (CNIs), which, beyond their well-established T-cell inhibitory effects, exhibit differential impacts on ER stress and plasma cell viability. By delineating the mechanistic differences between cyclosporine and tacrolimus in regulating ER stress responses, we propose potential therapeutic implications for optimizing cAMR management. This review underscores the need for innovative strategies targeting plasma cell biology to improve long-term transplant outcomes. Full article
(This article belongs to the Special Issue Molecular Insights on Drug Discovery, Design, and Treatment)
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16 pages, 783 KiB  
Review
Chronic Kidney Disease and Osteoarthritis: Current Understanding and Future Research Directions
by Rong-Sen Yang, Ding-Cheng Chan, Yao-Pang Chung and Shing-Hwa Liu
Int. J. Mol. Sci. 2025, 26(4), 1567; https://doi.org/10.3390/ijms26041567 - 13 Feb 2025
Cited by 1 | Viewed by 1750
Abstract
Chronic kidney disease (CKD) is a significant public health concern. Osteoarthritis (OA), a common form of arthritis, has been shown to have a dramatically increased prevalence, particularly among individuals aged 40–50 and older, in the presence of CKD. Furthermore, CKD may exacerbate the [...] Read more.
Chronic kidney disease (CKD) is a significant public health concern. Osteoarthritis (OA), a common form of arthritis, has been shown to have a dramatically increased prevalence, particularly among individuals aged 40–50 and older, in the presence of CKD. Furthermore, CKD may exacerbate the progression and impact of OA. A survey study revealed that 53.9% of CKD patients undergoing long-term hemodialysis were diagnosed with OA. These findings underscore the potential association between CKD and OA. Uremic toxins, such as indoxyl sulfate, p-cresyl sulfate, transforming growth factor-β, and advanced glycation end-products, are regarded as potential risk factors in various CKD-related conditions, affecting bone and joint metabolism. However, whether these factors serve as a bridging mechanism between CKD and OA comorbidities, as well as their detailed roles in this context, remains unclear. Addressing the progression of OA in CKD patients and identifying effective treatment and prevention strategies is an urgent challenge that warrants immediate attention. This review focuses on describing and discussing the molecular pathological mechanisms underlying CKD-associated OA and the possible therapeutic strategies. Full article
(This article belongs to the Special Issue Molecular Insights on Drug Discovery, Design, and Treatment)
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