Anti-cancer agents in medicinal chemistry最新文献

{"title":"Hyperthermia of MCF-7 under Near Infrared Radiation in the Presence of PEGylated Graphene Oxide Nanoparticles.","authors":"Maria Denisovna Dolgikh, Maria Stanislavovna Bochkova, Valeria Pavlovna Timganova, Darya Igorevna Usanina, Sergey Stanislavovich Lazarev, Mikhail Borisovich Rayev, Svetlana Anatolyevna Zamorina","doi":"10.2174/0118715206450707260105071412","DOIUrl":"https://doi.org/10.2174/0118715206450707260105071412","url":null,"abstract":"<p><strong>Introduction: </strong>Breast cancer remains a major healthcare challenge due to its high incidence worldwide. Current treatment methods involve invasive surgical procedures, underscoring the urgent need for more effective and less invasive therapies. One promising approach explored in this study is hyperthermia-based treatment of cancer cells using NIR radiation in the presence of PEGylated graphene oxide. This method aims to leverage the photothermal properties of nanoparticles to selectively ablate cancer cells, offering a potential alternative to other therapeutic strategies.</p><p><strong>Methods: </strong>We investigated graphene oxide coated with linear (LP-GO) or branched (BP-GO) polyethylene glycol at concentrations of 5, 25, and 50 μg/mL in combination with NIR radiation. The irradiation was performed twice for 20 minutes. Cell viability, apoptosis, and the number of MCF-7 cells were assessed at 24 and 48 hours post-irradiation using flow cytometry.</p><p><strong>Results: </strong>The research shows that only LP-GO increases the temperature in a dose-dependent manner. The maximum temperature (45.9°C) was recorded at a concentration of 50 μg/mL after the second irradiation. Additionally, LP-GO is sorbed by MCF-7 cells in a dose-dependent manner. Furthermore, when LP-GO was used at concentrations of 25 and 50 μg/mL in combination with NIR irradiation, the maximum antitumor effect was observed after 48 hours, with a general apoptosis rate of 30%.</p><p><strong>Discussion: </strong>We observed that after NIR irradiation of MCF-7 cells, early apoptosis was induced. According to the literature, this effect may be associated with increased levels of pro-apoptotic proteins and pro-inflammatory cytokines. In addition, apoptosis is known to be triggered after photothermal/photodynamic therapy by increasing the amount of ROS, caspase 8/9 activation, as well as caspase 3/7 and cytochrome c protein. At the same time, we did not observe a great increase in apoptosis, which may be due to the fact that hyperthermia is able to increase the expression of heat shock genes, in particular HSP70, HSP90, and HSP27, HSPВ1, which protect the cell from the negative influence of IR rays.</p><p><strong>Conclusion: </strong>This study demonstrates that LP-GO effectively induces hyperthermia in MCF-7 cells in a concentration- dependent manner, resulting in an increased percentage of apoptotic cells. Therefore, the combination of LP-GO with NIR irradiation shows promise as a hyperthermia-based therapeutic approach for breast cancer treatment.</p>","PeriodicalId":7934,"journal":{"name":"Anti-cancer agents in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147721614","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Deciphering the Molecular Interactions of Tuberculosis and Colorectal Cancer: A Network and RNA-Seq Data Analysis Approach.","authors":"Rongrong Yu, Ahmad Hasan, Muhammad Ibrahim, Wadi B Alonazi, Bin Li","doi":"10.2174/0118715206431526251125092355","DOIUrl":"https://doi.org/10.2174/0118715206431526251125092355","url":null,"abstract":"<p><strong>Introduction: </strong>A recent study revealed a correlation between TB and cancer, with individuals with a history of TB or current symptoms having a greater likelihood of developing colorectal cancer. This study aimed to explore transcriptomics data to identify new potential common therapeutic targets for CRC and tuberculosis.</p><p><strong>Methods: </strong>The GSE11199 dataset associated with TB and the GSE33113 dataset associated with CRC were retrieved from the Gene Expression Omnibus. The study identified commonly upregulated genes via R language, built a protein‒protein interaction network, and visualized it via Cytoscape, Cytohubba, and MCODE, revealing the role of miRNAs and TFs in regulating hub genes.</p><p><strong>Results: </strong>A total of 40 genes were found to be commonly upregulated, six of which were identified as hub genes, i.e., CXCL5, MMP3, MMP1, CXCL8, CXCL11, and SPP1. In addition, 58 miRNAs and 28 TFs were found to be associated with the hub genes.</p><p><strong>Discussion: </strong>Our findings revealed that key genes associated with the tumor immune microenvironment such as CXCL5, an inflammatory chemokine; CXCL8, a neutrophil-attracting chemokine; CXCL11, which is chemotactic for activated T-cells; and SPP1, which promotes the recruitment of immune cells to the tumor microenvironment and is significantly linked with various miRNAs and transcription factors, could regulate the functions of these hub genes and contribute to the progression and pathology of CRC and TB.</p><p><strong>Conclusion: </strong>The identified genes hold strong potential to apprise the development of targeted therapeutic strategies and advance clinical applications for patients affected by both conditions.</p>","PeriodicalId":7934,"journal":{"name":"Anti-cancer agents in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147721634","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Qualitative Analysis and Cytotoxic Activity of Ethanolic Extract of Piper betle Linn. Leaves: Induction of Apoptosis, Cell Cycle Arrest, and Caspase-3/7 Activation in HER2+ AU565 Breast Cancer Cell Line.","authors":"Sharmeen Fayyaz, Atia Tul-Wahab, Rimsha Irshad, Maria Mir, Naveera Zafar, Humaira Zafar, M Iqbal Choudhary","doi":"10.2174/0118715206382374250831130527","DOIUrl":"https://doi.org/10.2174/0118715206382374250831130527","url":null,"abstract":"<p><strong>Introduction: </strong>Piper betle, or betel vine, is a common chewing plant used for recreational purposes. Recently, there has been an increased interest in the cancer chemotherapeutic potential of dietary plants due to their antioxidant, antiinflammatory, and anti-mutagenic actions. While previous studies have demonstrated that P. betle leave extract inhibits the proliferation of breast cancer cells in vitro, the underlying mechanisms of its anti-cancer activity remain poorly understood. In this study, we investigated the effect of P. betle leaf extract on breast cancer cell lines and identified the possible mechanisms involved.</p><p><strong>Methods: </strong>Cell viability was assessed using the MTT assay. Annexin V and caspase-3/7 assays were used to determine apoptosis (programmed cell death). Major bioactive constituents in the extract were identified by using LC-MS and GC-MS techniques.</p><p><strong>Results: </strong>We found that P. betle leaves' extract inhibited the proliferation of all the breast cancer cell lines. Mechanistic analyses revealed that P. betle mediated inhibition of cell growth is a result of cell cycle arrest and DNA fragmentation. Moreover, the expression of apoptotic genes increased, ultimately leading to the activation of caspase-3/7 and cell death. The major compounds identified were hydroxychavicol, methyl palmitate, (E)- methyl octadec-9-enoate, and coniferaldehyde. We therefore speculate that the anti-cancer effect of P. betle is largely dependent on these phytochemicals.</p><p><strong>Discussions: </strong>In line with previously reported studies, our results demonstrate, for the first time, the anti-cancer effect of P. betle extract on the AU565 a HER2+ breast cancer cell line. Together with in silico and mechanistic approaches, we established that major compounds identified in the P. betle extract could be further evaluated as potential lead molecules against breast cancer.</p><p><strong>Conclusion: </strong>In summary, we report here for the first time that P. betle extract inhibits the proliferation of the AU565 (HER2+) breast cancer cell line, which may aid in advancing treatment options, particularly for HER2+ breast cancer.</p>.</p>","PeriodicalId":7934,"journal":{"name":"Anti-cancer agents in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147721578","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"In-Silico Identification of Natural Compounds as Dual Inhibitors of Aromatase and CDK4/6: A Multi-Target Approach for ER-Positive Breast Cancer Treatment.","authors":"Priyanka Yadav, V Samuel Raj, Manoj Kumar Yadav","doi":"10.2174/0118715206412723251128073929","DOIUrl":"https://doi.org/10.2174/0118715206412723251128073929","url":null,"abstract":"<p><strong>Introduction: </strong>The diagnosis of Estrogen-positive (ER+) breast cancer remains a major challenge for postmenopausal women. The progression of this disease depends heavily on estrogen signaling, which serves as an essential target for treatment strategies. The progression of the disease and the development of resistance to treatment occur because of abnormalities in the cyclin D1-CDK4/6-Rb pathway, even though aromatase inhibitors are effective.</p><p><strong>Methods: </strong>To identify potential dual inhibitors of aromatase and CDK4/6, 170,269 natural compounds from the Asinex database were screened using multi-target virtual screening. The top hits underwent molecular docking, ADMET profiling, density functional theory (DFT) analysis, 100 ns Molecular Dynamics (MD) simulations, and MM-GBSA binding energy calculations as part of a comprehensive in silico analysis.</p><p><strong>Results: </strong>In the initial phase, 76 aromatase-targeting compounds were screened against CDK4 and CDK6. Two dual-target candidates demonstrated promising potential: LAS52119664 and BBF30702300, which showed aromatase (-8.21 kcal/mol) and CDK4 (-197.87 ± 14.09 kcal/mol) binding, and BBF30702300, which showed aromatase (-6.21 kcal/mol) and CDK6 (-110.58 ± 8.43 kcal/mol) binding.</p><p><strong>Discussion: </strong>The DFT analysis demonstrated that the HOMO-LUMO gaps were 0.184 and 0.181 eV, which indicated high reactivity. Both complexes maintained stability during a 100-nanosecond molecular dynamics simulation, as shown by their steady RMSD and RMSF values. ADMET profiling and in silico toxicity predictions confirmed the drug-like features of these compounds. ER+ breast cancer therapy may benefit from these compounds, which act as dual inhibitors.</p><p><strong>Conclusion: </strong>Both LAS52119664 and BBF30702300 emerged as novel and promising natural dual inhibitors of aromatase and CDK4/6, providing a basis for future experimental validation and the development of multitargeted therapies for ER-positive breast cancer.</p>","PeriodicalId":7934,"journal":{"name":"Anti-cancer agents in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147669778","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Targeting the Arachidonic Acid Cascade in Cancer: Recent Advances in Enzyme Inhibitor Design.","authors":"Zorica Vujić, Jelena Savić, Olivera Čudina, Jasmina Brborić, Vladimir Dobričić","doi":"10.2174/0118715206424807251207200409","DOIUrl":"https://doi.org/10.2174/0118715206424807251207200409","url":null,"abstract":"<p><strong>Introduction: </strong>Cancer is a multifactorial disease involving multiple interrelated molecular targets and signaling pathways. Some epidemiological studies have suggested that nonsteroidal anti-inflammatory drugs could reduce the incidence of certain types of cancer, indicating the interplay between inflammation and cancer. Designing compounds that inhibit an enzyme of the arachidonic acid inflammatory cascade while exhibiting anticancer effects has emerged as a promising strategy.</p><p><strong>Methods: </strong>A descriptive review and analysis of recently published studies on the synthesis of compounds that target two enzymes of the arachidonic acid cascade and simultaneously exhibit anticancer activity was performed.</p><p><strong>Results: </strong>Numerous cyclooxygenase-2 (COX-2) inhibitors with anticancer activity are known. Fewer examples exist for 5-lipoxygenase (5-LOX) inhibitors, while many dual COX-2/5-LOX inhibitors also display anticancer effects. Some examples of dual inhibitors with anticancer potential include 5-LOX/microsomal prostaglandin E2 synthase (mPGES), and COX-2/soluble epoxide hydrolase inhibitors. There are also compounds designed to inhibit three targets: COX-2, 15-LOX, and carbonic anhydrase.</p><p><strong>Discussion: </strong>Given the complex interplay between inflammation and cancer, the term \"anticancer effects\" encompasses various therapeutic opportunities, ranging from adjuvant therapy and chemoprevention to angiogenic and cytotoxic activity.</p><p><strong>Conclusion: </strong>This multitarget approach highlights the broad therapeutic possibilities of targeting inflammatory pathways, establishing a direction for the development of innovative anticancer therapies with improved safety profiles.</p>","PeriodicalId":7934,"journal":{"name":"Anti-cancer agents in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147669828","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Recent Advances in Natural Phytocompounds for the Chemotherapeutic Management of Head and Neck Squamous Cell Carcinoma from 2018-2024.","authors":"Zulfa Nooreen, Vinayak Rai, Harshita Sachan, Awani Kumar Rai, Sudeep Tandon","doi":"10.2174/0118715206432579251210114013","DOIUrl":"https://doi.org/10.2174/0118715206432579251210114013","url":null,"abstract":"<p><p>The most prevalent cancers of the head and neck are oral squamous cell carcinomas, which arise from the mucosal epithelium of the oral cavity, throat, and larynx. According to GLOBOCAN, oral squamous cell carcinoma is the sixth most frequent malignancy worldwide and is expected to increase in prevalence by 30% by 2030. A thorough understanding of the underlying molecular processes can lead to novel therapeutic approaches that utilize phytochemicals, either alone or in combination with currently approved medicines, for a range of malignancies. Phytochemicals present in food can influence the antioxidant status of the oral cavity and contribute to its protection. Plant-derived antioxidants, including polyphenols, have been shown to scavenge reactive nitrogen species, chelate ions, and mitigate adverse effects. The mucosal and submucosal compartments are involved in enhanced immune responses, decreased cell proliferation, increased cell death, and diminished regenerative capacity. To effectively prevent and treat oral squamous cell carcinoma, this review summarizes some of the most potent phytochemicals. These compounds can arrest the cell cycle, induce differentiation and apoptosis, inhibit angiogenesis, and suppress the invasive and metastatic properties of cancer cells. Their mechanisms of action include cytochrome-c release, loss of mitochondrial membrane potential, downregulation of antiapoptotic proteins, upregulation of pro-apoptotic proteins, activation of caspases and p53, inhibition of the Akt/mTOR signaling pathway, and modulation of NF-κB, STAT3, and PI3K phosphorylation. Additionally, phytochemicals can reduce the damage caused by radiation and chemotherapy to healthy cells during treatment. This review highlights plant extracts and their bioactive compounds reported for the management of head and neck cancers from 2018 to 2024.</p>","PeriodicalId":7934,"journal":{"name":"Anti-cancer agents in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147669853","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Poly(2-oxazolines) as Precision Nanocarriers in Triple-Negative Breast Cancer: Advancing Targeted Chemotherapy Through Polymeric Innovation.","authors":"Shikha Baghel Chauhan, Chirag Jain, Aniket Yadav, Indu Singh","doi":"10.2174/0118715206432665251204114832","DOIUrl":"https://doi.org/10.2174/0118715206432665251204114832","url":null,"abstract":"<p><strong>Introduction: </strong>Poly(2-ethyl-2-oxazoline) (POx) has emerged as a highly promising drug delivery polymer due to its biocompatibility, stealth-like behavior, and versatile functionalization options. POx-based nanocarriers offer significant advantages for targeted drug delivery in oncology, particularly for challenging tumors such as triple-negative breast cancer (TNBC).</p><p><strong>Methods: </strong>Recent literature from 2015 to 2025 on the synthesis, characterization, and biological applications of POx-based nanocarriers was systematically reviewed. Emphasis was placed on drug conjugation techniques, in vitro and in vivo performance, and computational studies that inform design optimization.</p><p><strong>Results: </strong>POx micelles and hybrid systems demonstrate improved encapsulation efficiency, reduced off-target toxicity, and sustained drug release, achieving effective tumor targeting via the enhanced permeability and retention (EPR) effect. Notably, POx micelles loaded with β-elemene exhibit dual pH/GSH-responsive behavior with >92% encapsulation efficiency. Computational modeling has guided micelle design and predicted critical drug-polymer interactions.</p><p><strong>Discussion: </strong>The structural flexibility of POx enables the engineering of dual-drug carriers and theranostic platforms. Clinical translation is progressing, although challenges remain regarding large-scale synthesis and regulatory standardization. Integration of POx-based systems into combination therapies and personalized oncology strategies represents a promising path forward, supported by encouraging preclinical results.</p><p><strong>Conclusion: </strong>POx nanocarriers exhibit strong translational potential for TNBC due to high drug loading, biocompatibility, and tunable release profiles. They provide enhanced tumor accumulation, active targeting, and the ability to overcome multidrug resistance, supported by favorable pharmacokinetics and computational design insights. Remaining challenges include large-scale production, long-term safety assessment, and regulatory approval. Future directions focus on dual- and stimuli-responsive systems and their integration into precision oncology to accelerate clinical translation.</p>","PeriodicalId":7934,"journal":{"name":"Anti-cancer agents in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147669846","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Pomegranate Oil Nanoemulsion as a Nanotherapeutic Strategy Against Breast and Colon Cancer: Induction of Apoptosis and Inhibition of Cell Migration.","authors":"Majidah Aljadani, Najat Binothman, Salwa Alshehri, Lamaia R Altarjami","doi":"10.2174/0118715206437234260120080158","DOIUrl":"https://doi.org/10.2174/0118715206437234260120080158","url":null,"abstract":"<p><strong>Introduction: </strong>Cancer is increasingly recognized as a chronic condition. However, current anticancer therapies have several limitations that considerably impact patient quality of life. Therefore, we aimed to develop and characterize a pomegranate (Punica granatum) oil-based nanoemulsion (PG-NE) with enhanced anticancer properties. We further aimed to evaluate its cytotoxic, pro-apoptotic, and anti-migratory effects on human breast (MCF-7) and colon (HCT-116) cancer cell lines.</p><p><strong>Methods: </strong>PG-NE was formulated via high-energy emulsification and characterized by dynamic light scattering to determine droplet size, polydispersity index (PDI), and zeta potential. Its cytotoxicity was measured by the MTT assay, whereas apoptosis and migration were assessed by Annexin V/PI flow cytometry and scratchwound- healing assays, respectively.</p><p><strong>Results: </strong>PG-NE exhibited a mean droplet size, PDI, and zeta potential of 283.67 ± 1.15 nm, 0.17 ± 0.01, and - 35.17 ± 0.06 mV, respectively, indicating uniform nanoscale distribution and good colloidal stability. Compared with mitomycin C (MMC), PG-NE significantly decreased cancer cell viability, enhanced apoptotic induction, and strongly inhibited migration in both MCF-7 and HCT-116 cells.</p><p><strong>Discussion: </strong>The findings indicate that nanoencapsulation enhances the anticancer efficacy of pomegranate oil by increasing its solubility and bioavailability, thereby supporting its potential as a plant-derived nanotherapeutic in integrative oncology.</p><p><strong>Conclusion: </strong>PG-NE exhibited potent cytotoxic, pro-apoptotic, and antimigratory activities in vitro. Its physicochemical stability and biological activity support its potential use as a chemopreventive or adjunctive agent.</p>","PeriodicalId":7934,"journal":{"name":"Anti-cancer agents in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-04-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147626803","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Anticancer and Drug-Likeness Evaluation of Allylphenol-Based 15-LOX Inhibitors in Prostate Cancer: An In Vitro and Computational Study.","authors":"Elahe Khezri, Hamid Sadeghian, Melika Ehtesham Gharaee, Melika Samei, Fatemeh Behnam Rassouli, Fatemeh Valinezhad Sani, Fatemeh Mosaffa","doi":"10.2174/0118715206430349260204105940","DOIUrl":"https://doi.org/10.2174/0118715206430349260204105940","url":null,"abstract":"&lt;p&gt;&lt;strong&gt;Background: &lt;/strong&gt;Prostate cancer remains the second most common cancer among men around the world, with 1.4 million new cases annually. Treatment resistance and off-target toxicity require innovative therapeutic approaches. Natural compounds such as eugenol exhibit anticancer potential, but poor pharmacokinetic properties constrain clinical application.&lt;/p&gt;&lt;p&gt;&lt;strong&gt;Objective: &lt;/strong&gt;This study evaluated the cytotoxic, apoptotic, and pharmacokinetic properties of three eugenolderived allyl phenol compounds (38, 42, 47), previously recognized as potent 15-lipoxygenase-1 (15-LOX-1) inhibitors, in prostate cancer models.&lt;/p&gt;&lt;p&gt;&lt;strong&gt;Methods: &lt;/strong&gt;The cytotoxic activity was evaluated in PC-3 prostate cancer cells and Human Dermal Fibroblasts (HDF) using AlamarBlue assays, flow cytometry, and morphological analysis. Computational validation involved Density Functional Theory (DFT) calculations, molecular docking into 15-lipoxygenase-1 (15-LOX-1; PDB: 2P0M), and structural analysis. Pharmacokinetic and toxicity profiles were predicted in silico using SwissADME, pkCSM, and ProTox-III platforms.&lt;/p&gt;&lt;p&gt;&lt;strong&gt;Results: &lt;/strong&gt;All three compounds were cytotoxic to PC-3 cells in a concentration-dependent way with some selectivity for normal cells. Apoptosis was confirmed by increased sub-G1 peak and morphological changes, while BAX or BCL-2 mRNA levels did not change. In silico studies (DFT and docking) showed that the compounds bound well to 15-LOX-1 (docking scores: -6.6 to -7.3 kcal/mol), with compound 42 having the strongest binding affinity. Structural analysis showed that the proteins were moderately flexible (B-factor: 47.45 ± 13.07 Ų), which supports stable ligand accommodation. Computational ADME/toxicity predictions suggested generally favorable pharmacokinetic profiles; however, compound 42 was poorly soluble, and compound 47 was identified as a P-gp substrate, indicating a potential efflux liability.&lt;/p&gt;&lt;p&gt;&lt;strong&gt;Discussion: &lt;/strong&gt;The pro-apoptotic effects observed despite unaltered BAX and BCL-2 mRNA levels indicate that the apoptotic response is likely mediated through mechanisms other than transcriptional regulation of these genes, potentially by blocking 15-LOX-1. Computational modeling indicated that all three compounds can effectively bind to the 15-LOX-1 active site, and their binding affinities are in line with their experimental inhibitory potencies (IC&lt;sub&gt;50&lt;/sub&gt;: 0.80-0.88 μM). The integration of in vitro and in silico results confirms the therapeutic potential of these compounds and underscores the necessity for additional mechanistic studies and in vivo evaluation.&lt;/p&gt;&lt;p&gt;&lt;strong&gt;Conclusion: &lt;/strong&gt;These results highlight the anticancer properties of eugenol-derived allylphenol compounds. The compounds induce apoptosis by mechanisms independent of BAX/BCL-2 transcriptional modulation. Computational modeling suggests potential involvement of 15-LOX-1; nevertheless, direct mechanistic validation via ca","PeriodicalId":7934,"journal":{"name":"Anti-cancer agents in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147618367","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Current Progress and Future Opportunities in Liquid Biopsy for Cancer Detection.","authors":"Mehrdad Yasaei, Ahmad Fazilat, Ali Khavanin, Fatemeh Yadegari, Sedigheh Kamrani, Keivan Majidzadeh, Mohadeseh Sheykhi-Sabzehpoush, Mohammad Valilo, Maryam Farzaneh","doi":"10.2174/0118715206437318260224042037","DOIUrl":"https://doi.org/10.2174/0118715206437318260224042037","url":null,"abstract":"<p><strong>Introduction: </strong>Cancer is a leading cause of death worldwide, with many cancers lacking effective early screening methods. Early diagnosis is critical for improving survival and quality of life, and for reducing the financial burden of late-stage treatment. Liquid biopsy has emerged as a promising, minimally invasive diagnostic strategy.</p><p><strong>Methods: </strong>This review provides a comprehensive analysis of the current state of liquid biopsy technologies for cancer detection. It evaluates the primary analytical techniques used to detect circulating tumor biomarkers, including Circulating Tumor Cells (CTCs), cell-free DNA (cfDNA), various non-coding RNAs (ncRNA), and extracellular vesicles.</p><p><strong>Results: </strong>Liquid biopsies enable molecular characterization for diagnosis, treatment classification, and monitoring. However, the analysis reveals that a significant weakness of many current techniques is insufficient sensitivity for reliably detecting early-stage cancers, when treatment is most effective.</p><p><strong>Discussion and conclusion: </strong>While liquid biopsy represents a revolutionary approach to oncology, technological hurdles remain. This review addresses these challenges and provides recommendations for advancing biomarker assay sensitivity and specificity. Overcoming these limitations is essential for translating liquid biopsy into effective, widespread clinical screening for early cancer detection.</p>","PeriodicalId":7934,"journal":{"name":"Anti-cancer agents in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147618306","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}