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Development of Anti-Cancer Agents: Advances in Chemistry and Analysis

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: closed (31 March 2025) | Viewed by 1770

Special Issue Editor


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Guest Editor
Molecular Imaging Branch, National Institute of Mental Health, National Institutes of Health, Bethesda, MD 20892, USA
Interests: medicinal chemistry; chemical biology; bioactive compounds; therapeutic applications in cancer and neuroscience; compounds design; targeting molecular pathways; biochemical interactions; disease mechanisms and treatment efficacy
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Special Issue Information

Dear Colleagues,

The Special Issue aims to showcase recent advancements in the development of anti-cancer agents, focusing on innovative approaches in both chemistry and analytical methodologies. Research contributions may cover novel synthetic routes, structure–activity relationship (SAR) studies, target validation, and mechanistic insights into anti-cancer drug development. Additionally, the issue will explore cutting-edge analytical techniques that enhance the precision and reliability of drug characterization, bioavailability studies, pharmacokinetics, and efficacy evaluations. This issue invites contributions that bridge the gap between chemistry-driven drug design and analytical advances to accelerate the discovery of effective cancer therapeutics.

Cancer-drug discovery and development continue to benefit from transformative advancements in chemistry and analytical sciences. This Special Issue, "Development of Anti-Cancer Agents: Advances in Chemistry and Analysis," seeks to highlight innovative work in both the synthetic and analytical domains that drive the development of more effective cancer treatments. Topics of interest include new chemical approaches for creating targeted therapies, structure–activity relationship (SAR) exploration, and insights into molecular mechanisms. We also welcome studies on analytical methods that improve pharmacokinetic profiling, metabolic stability, and in vivo efficacy assessments. By bringing together advancements in chemistry and state-of-the-art analytical techniques, this issue aims to present a comprehensive view of the current landscape and future potential for anti-cancer drug development.

Dr. Sridhar Nerella
Guest Editor

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Keywords

  • anti-cancer agents
  • medicinal chemistry
  • structure–activity relationship (SAR)
  • cancer therapeutics
  • drug discovery and development
  • pharmacokinetics
  • targeted therapy
  • analytical techniques
  • bioavailability
  • molecular mechanisms of cancer

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Published Papers (2 papers)

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21 pages, 5818 KiB  
Article
Azvudine Suppresses Epithelial–Mesenchymal Transition in Hepatocellular Carcinoma by Targeting the Notch–HEY Signalling Pathway
by Yao Meng, Peiyi Sun, Yixin Ren, Guoqing Li, Xiujun Liu, Chunjie Xu, Luyao Dong, Hanhan Li, Zhonghui Zheng, Xuefu You and Xinyi Yang
Int. J. Mol. Sci. 2025, 26(11), 5127; https://doi.org/10.3390/ijms26115127 - 27 May 2025
Viewed by 423
Abstract
Azvudine (FNC) is a novel cytidine analogue that is widely used in the treatment of infectious diseases such as AIDS and COVID-19. Previous studies have demonstrated its anticancer activity in various cancer cell lines, including non-Hodgkin’s lymphomas and lung adenocarcinoma cell lines. However, [...] Read more.
Azvudine (FNC) is a novel cytidine analogue that is widely used in the treatment of infectious diseases such as AIDS and COVID-19. Previous studies have demonstrated its anticancer activity in various cancer cell lines, including non-Hodgkin’s lymphomas and lung adenocarcinoma cell lines. However, its effects on hepatocellular carcinoma (HCC) and the underlying mechanisms remain unclear. This study aimed to investigate the anti-epithelial–mesenchymal transition (anti-EMT) activity of FNC and evaluate its potential application in HCC treatment. We found that FNC significantly inhibits the migration of the liver cancer cell line Huh7 by downregulating key EMT markers, such as matrix metalloproteinases (MMPs) and E-cadherin, at both the transcriptional and protein expression levels. Notably, we found that FNC inhibits HEY proteins, particularly HEY1, a transcriptional regulator of the Notch signalling pathway that is overexpressed in approximately 50% of HCC patients. To identify the primary target of FNC, microscale thermophoresis (MST) and molecular dynamics (MD) simulations were performed, revealing that FNC directly binds to Jagged1. This study provides valuable insights into the therapeutic potential of FNC in HCC treatment and elucidates its underlying mechanisms. Full article
(This article belongs to the Special Issue Development of Anti-Cancer Agents: Advances in Chemistry and Analysis)
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33 pages, 8551 KiB  
Article
Novel Oxadiazole-Quinoxalines as Hybrid Scaffolds with Antitumor Activity
by Paola Corona, Stefania Gessi, Roberta Ibba, Stefania Merighi, Prisco Mirandola, Gérard Aimè Pinna, Manuela Nigro, Giulia Pozzi, Battistina Asproni, Alessia Travagli, Sandra Piras, Antonio Carta, Paola Caria and Gabriele Murineddu
Int. J. Mol. Sci. 2025, 26(4), 1439; https://doi.org/10.3390/ijms26041439 - 8 Feb 2025
Viewed by 1111
Abstract
A small library of 25 novel 1,3,4-oxadiazole-quinoxalines was synthesized and evaluated in vitro for its cytotoxic activity at 10 μM concentration against nine NCI-different cancer cell lines. Among tested compounds, derivatives 24, 25, and 26 showed good inhibition percentages over different [...] Read more.
A small library of 25 novel 1,3,4-oxadiazole-quinoxalines was synthesized and evaluated in vitro for its cytotoxic activity at 10 μM concentration against nine NCI-different cancer cell lines. Among tested compounds, derivatives 24, 25, and 26 showed good inhibition percentages over different cell lines and, therefore, progressed to the full five-dose assay. Compound 24, possessing a 1,3,4-oxadiazole-core, bearing a 7-trifluoromethyl-quinoxaline nucleus on C-2 and a C-5 phenyl ring, had activity against leukemia, CNS, ovarian, renal, prostate, and breast cancer, with highest the values against breast MCF7 (GI50: 1.85 μM) and MDA-MB-468 (GI50: 1.95 μM) cell lines, showing the better MG_MID value (−5.02). These novel derivatives were able to delay the S phase of the cell cycle and induce apoptosis. Full article
(This article belongs to the Special Issue Development of Anti-Cancer Agents: Advances in Chemistry and Analysis)
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