Cell Biochemistry and Biophysics最新文献

{"title":"Drug repurposing through Biophysical Insights: Focus on Indoleamine 2,3-Dioxygenase and Tryptophan 2,3-Dioxygenase Dual Inhibitors.","authors":"Priyanga Paranthaman, Ramanathan Karuppasamy, Shanthi Veerappapillai","doi":"10.1007/s12013-025-01725-2","DOIUrl":"https://doi.org/10.1007/s12013-025-01725-2","url":null,"abstract":"<p><p>The kynurenine pathway (KP) plays a pivotal role in dampening the immune response in many types of cancer, including TNBC. The intricate involvement of tryptophan degradation via KP serves as a critical regulator in mediating immunosuppression in the tumor microenvironment. The key enzymes that facilitate this mechanism and contribute to tumor progression are indoleamine 2,3-dioxygenase (IDO1) and tryptophan 2,3-dioxygenase (TDO). Despite attempts to use navoximod as a dual-specific inhibitor, its poor bioavailability and lack of clinical efficacy have hampered its utility. To date, no FDA-approved drugs have advanced for dual targeting of these enzymes. Therefore, this study aimed to repurpose the approved drugs from the DrugBank database as novel IDO1/TDO inhibitors. Initially, 2588 FDA-approved compounds were screened by employing molecular docking and pharmacokinetic profiling. Subsequently, methods such as MM-GBSA calculations and machine learning based analysis precisely identified 20 potential lead compounds. The resultant compounds were then assessed for various toxicity endpoints and anticancer activity. The PaccMann server revealed potent anticancer activity, with sensitivities ranging from 0.203 to 24.119 μM against MDA-MB-231 TNBC cell lines. Alongside, the interaction profile with critical residues, strongly reinforced DB06292 (Dapagliflozin) as a compelling hit candidate. Finally, the reliability of the result was corroborated through a rigorous 200 ns molecular dynamics simulation, ensuring the stable binding of the hit against the target proteins. Considering the promising outcomes, we speculate that the proposed hit compound holds strong potential for the management of TNBC.</p>","PeriodicalId":510,"journal":{"name":"Cell Biochemistry and Biophysics","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143707836","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Cardiac Macrophages Promote Polarization of Macrophages toward M2 Phenotype to Improve Myocardial Remodeling via NGAL after Myocardial Infarction.","authors":"Donghui Shen, Jiabing Chen","doi":"10.1007/s12013-025-01726-1","DOIUrl":"https://doi.org/10.1007/s12013-025-01726-1","url":null,"abstract":"<p><p>Several studies have shown that the number of circulating neutrophils or the levels of their secreted factors, including Neutrophil Gelatinase-Associated Lipocalin (NGAL), in plasma are associated with the prognosis and mortality of patients with myocardial infarction (MI). However, the underlying mechanisms remain unclear. MI was induced in mice by permanent ligation of the left anterior descending coronary artery. Mice were then intraperitoneal administered IgG control, anti-Ly6G antibody and recombinant mouse NGAL at 1 h after the surgery and once daily from day 1-14 after surgery. At days 1, 3, 7, and 14 after surgery, echocardiogram showed that neutrophils significantly attenuates LV remodeling and reserves contractile function after MI compared with isotype control group. Flow cytometry revealed that the myocardial infiltration of macrophages decreased in MI mice with Ly6G-depleted. Moreover, WB and flow cytometry showed that macrophages differentiated by exposure to CM and NGAL, especially the latter, displayed a M2-like phenotype, expressing higher MerTK level than control M0 macrophages and the cells exposed to MPO. Meanwhile, flow cytometry indicated that the ability to remove dead cells of M2c-like macrophages triggered by NGAL significantly enhanced compared to those control M0 macrophages and the cells exposed to MPO. Most importantly, we validated that the decrease of M2c macrophage polarization in MI caused by neutrophils depletion can be reversed by NGAL in vivo. NGAL successfully induced the polarization of macrophages into M2c type. Furthermore, cardiac macrophages improve myocardial remodeling and cardiac function by inducing the polarization of M2c-like macrophages via NGAL after MI.</p>","PeriodicalId":510,"journal":{"name":"Cell Biochemistry and Biophysics","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143727060","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhancing Sonodynamic Therapy in Prostate Cancer: Cavitation-Induced Cytotoxicity and Mitochondrial Unfolded Protein Response Disruption.","authors":"Aysegul Turkkol, Umut Kerem Kolac, Gizem Donmez Yalcin, Mehmet Dincer Bilgin, Abdullah Yalcin, Mehmet Bilgen","doi":"10.1007/s12013-025-01717-2","DOIUrl":"https://doi.org/10.1007/s12013-025-01717-2","url":null,"abstract":"<p><p>Prostate cancer remains a significant health challenge, necessitating more effective and targeted treatment strategies. Sonodynamic therapy (SDT) is a promising, non-invasive approach that utilizes ultrasound-activated sensitizers to induce cancer cell death. However, the role of ultrasound cavitation in enhancing SDT efficacy and its effects on mitochondrial stress responses remain unclear. We hypothesized that increasing cavitation density through optimized ultrasound parameters would enhance Ce6-mediated SDT effectiveness by increasing cytotoxicity, reactive oxygen species (ROS) generation, mitochondrial membrane potential (MMP) loss, and disrupting the mitochondrial unfolded protein response (mtUPR). Prostate cancer cells were treated with Ce6 and exposed to ultrasound with varying duty cycles (50% and 100%) and power intensities (0.5 W/cm², 1 W/cm², and 1.5 W/cm²). Cavitation density was measured, and its effects on cell viability, ROS levels, MMP disruption, and mtUPR mediator expression, including activating transcription factor 5 (ATF5), heat shock protein 60 (HSP60), and caseinolytic protease proteolytic subunit (CLPP), were analyzed at protein and mRNA levels. Higher duty cycles significantly increased cavitation density, leading to enhanced cytotoxicity, elevated ROS generation, and greater MMP loss in Ce6-mediated SDT. Additionally, SDT reduced mtUPR mediator expression, with cavitation further amplifying these effects. These findings suggest that cavitation-enhanced SDT may contribute to improved therapeutic efficacy in prostate cancer treatment by modulating mitochondrial stress responses and affecting cell viability. Optimizing ultrasound parameters to maximize cavitation effects may contribute to the development of more effective SDT-based cancer therapies.</p>","PeriodicalId":510,"journal":{"name":"Cell Biochemistry and Biophysics","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143707842","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effect and Mechanism of Vitamin D on Inflammatory Factors and Neutrophil Activity in Preterm Placenta of Rats Induced by LPS.","authors":"Danlin Yang, Xian Chen, Bingqing Lv","doi":"10.1007/s12013-024-01663-5","DOIUrl":"https://doi.org/10.1007/s12013-024-01663-5","url":null,"abstract":"<p><p>To investigate the impact mechanisms of vitamin D on inflammatory factors and neutrophil activity in preterm pregnant rats. 24 pregnant rats were selected as the research objects and randomly divided into control group, LPS group and LPS + VD group, with 8 rats in each group. On the second day of pregnancy, the LPS + VD group was injected intraperitoneally with 50 mg/L vitamin D30.2 mL, and the LPS group and the control group were injected with the same amount of 0.9% NaCl twice a day. On the seventh day of pregnancy, the LPS group and the LPS + VD group were injected with 0.2 mL LPS into the tail vein to establish a preterm labor model induced by infection. The control group was injected with the same amount of physiological saline into the tail vein. Placental tissues from rats in the LPS + VD group and the LPS group were collected, and the expression levels of inflammatory factors TGF-β1, TNF-α, and VDBP were detected by immunohistochemistry. At the same time, serum IL-2 concentration was measured by ELISA and radioimmunoassay, the activity of neutrophils was evaluated by flow cytometry, and the expression of Hippo-YAP signaling pathway protein was detected by Western blot. Compared with the control group, the content of TNF-α, VDBP, and TGF-β1 in placenta in LPS group were higher than that in the control group (P < 5); Compared with the LPS group, the contents of TNF-α, BP and TGF-β1 in the LPS+VD group were significantly reduced,(P < 0.05); Compared with the control group, the serum IL-2 concentration in the LPS group was significantly higher than that in the control group (P < 0.05); Compared with the LPS group, the serum IL-2 concentration in the LPS + VD group decreased significantly (P < 0.05); Compared with the control group, the neutrophil ratio and absolute neutrophil value in the LPS group were higher than those in the control group (P < 0.05); Compared with the LPS group, the neutrophil ratio and absolute value of neutrophils decreased (P < 0.05); compared with the control group, the expression levels of YAP and P-YAP protein in the LPS group increased (P < 0.05); compared with the LPS group, the expression levels of YAP and P-YAP protein in the LPS + VD group decreased (P < 0.05). Vitamin D can improve the immune status of preterm pregnant mice by inhibiting the expression of placental inflammatory factors.</p>","PeriodicalId":510,"journal":{"name":"Cell Biochemistry and Biophysics","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143707838","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Theranostic Potential of Copper-64 ATSM Targeting MTHFD2: An In Silico Perspective on Hypoxia-Selective Imaging and Therapy.","authors":"Abdulsalam Abuelsamen, Maram B Alhawarri, Mohammad G Al-Thiabat, Ghaseb N Makhadmeh, Tariq AlZoubi, Bilal Harieth Alrimawi, Mohammad A Khaleel","doi":"10.1007/s12013-025-01732-3","DOIUrl":"https://doi.org/10.1007/s12013-025-01732-3","url":null,"abstract":"<p><p>Hypoxia is a hallmark of the tumor microenvironment, leading to metabolic reprogramming and therapeutic resistance. The enzyme methylenetetrahydrofolate dehydrogenase 2 (MTHFD2) supports hypoxia adaptation, making it an attractive target for cancer treatment. Copper-64 diacetyl-bis(N4-methylthiosemicarbazone) (⁶⁴Cu-ATSM) exhibits selective hypoxia uptake, positioning it as a promising theranostic agent for imaging and treating hypoxic tumors. In this study, we employed molecular docking and molecular dynamics (MD) simulations to evaluate the binding, stability, and dynamic behavior of ⁶⁴Cu-ATSM within the MTHFD2 active site. Docking analysis revealed strong binding affinity (ΔG_bind = -7.91 kcal/mol) with stable hydrogen bonding to key residues. MD simulations, assessed via root mean square deviation (RMSD), root mean square fluctuation (RMSF), radius of gyration (Rg), radial distribution function (RDF), solvent-accessible surface area (SASA), dynamic cross-correlation maps (DCCM), and 2D principal component analysis (2D-PCA), confirmed ligand stability. MM-PBSA and per-residue decomposition analyses identified ARG43, TYR84, ASN87, LYS88, GLN132, GLY310, GLY313, and PRO314 as key contributors to ligand stabilization. These findings support ⁶⁴Cu-ATSM as a potential MTHFD2-targeting theranostic agent. However, in vitro and in vivo studies are needed to validate its therapeutic efficacy, pharmacokinetics, and clinical relevance for hypoxia-selective cancer therapy.</p>","PeriodicalId":510,"journal":{"name":"Cell Biochemistry and Biophysics","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143699396","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Exosomes as Therapeutic and Diagnostic Tools: Advances, Challenges, and Future Directions.","authors":"Tejas C Jangam, Sharav A Desai, Vipul P Patel, Nishant B Pagare, Nikita D Raut","doi":"10.1007/s12013-025-01730-5","DOIUrl":"https://doi.org/10.1007/s12013-025-01730-5","url":null,"abstract":"<p><p>Exosomes are tiny extracellular vesicles that are essential for intercellular communication and have shown great promise in the detection and treatment of disease. They are especially useful in the treatment of cancer, cardiovascular conditions, and neurological diseases because of their capacity to transport bioactive substances including proteins, lipids, and nucleic acids. Because of their low immunogenicity, ability to traverse biological barriers, and biocompatibility, exosome-based medicines have benefits over conventional treatments. Large-scale production, standardization of separation methods, possible immunological reactions, and worries about unforeseen biological effects are some of the obstacles that still need to be overcome. Furthermore, there are major barriers to the clinical use of exosomes due to their complex cargo sorting mechanisms and heterogeneity. Future studies should concentrate on enhancing separation and purification procedures, optimizing exosome engineering techniques, and creating plans to reduce immune system modifications. This review examines the most recent developments in exosome-based diagnostics and treatments, identifies current issues, and suggests ways to improve their clinical translation in the future.</p>","PeriodicalId":510,"journal":{"name":"Cell Biochemistry and Biophysics","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143690718","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Cellular Stress Responses and Associated Diseases: A Focus on Heat Shock Proteins.","authors":"Bandana Kumari","doi":"10.1007/s12013-025-01724-3","DOIUrl":"https://doi.org/10.1007/s12013-025-01724-3","url":null,"abstract":"<p><p>Cellular stress response is the response of the cell at molecular level in order to combat various environmental stressors / viral infections. These stressors can be either intra or extracellular. In the beginning of the insult cell tries to recoup from these adverse events by various mechanism like heat shock protein response, unfolded protein response, mitochondrial stress signaling, DNA damage response etc. However, if these stressors exceed the cellular capacity to coup with it, it leads to programmed cell death and senescence. Also, chronic stress and cortisol released in response to cellular stress decreases telomerase activity which is needed to replenish telomeres which are protective casing at the end of a strand of DNA. Too low telomeres lead to cell death or cell become pro-inflammatory leading to aging process and other health associated risks like cardiovascular diseases neurodegenerative diseases, autoimmune diseases, cancers etc.</p>","PeriodicalId":510,"journal":{"name":"Cell Biochemistry and Biophysics","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143699394","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Isogarcinol Reduces MARS Levels and Deactivates the PI3K/AKT Pathway to Suppress the Malignant Properties of Breast Cancer Cells.","authors":"Dechao Zhang, Yunhai Chu, Meng Li, Lin Du","doi":"10.1007/s12013-025-01727-0","DOIUrl":"https://doi.org/10.1007/s12013-025-01727-0","url":null,"abstract":"<p><p>Natural products and their extracts are increasingly considered valuable sources for small-molecule anti-cancer drugs. This study investigates the biological impacts of isogarcinol (ISO) on breast cancer (BC) cells and delves into the underlying mechanisms. In vitro, treatment of ISO at 13 μM substantially reduced the viability, proliferation, and mobility of BC. In vivo, ISO treatment at 5, 10, and 15 mg/kg reduced the tumorigenic activity of MDA-MB-231 cells and decreased the levels of Ki-67 and CD31. ISO exerted tumor suppressive effects by reducing the protein level of methionyl-tRNA synthetase (MARS), as the MARS restoration reversed the trends induced by ISO. Phosphorylation levels of phosphatidyl inositol 3 (PI3K) and protein kinase B (AKT) in BC cells were reduced by ISO but restored by MARS. In the presence of MARS upregulation, further treatment of Alpelisib, a suppressor of the PI3K/AKT pathway, suppressed the malignant properties of BC cells. Collectively, these results demonstrate that ISO curbs the malignant behavior of BC cells by reducing the MARS protein level and deactivating the PI3K/AKT pathway. ISO may be considered a promising regimen for the management of BC.</p>","PeriodicalId":510,"journal":{"name":"Cell Biochemistry and Biophysics","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-03-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143690730","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Neuroprotective Effect of Rosuvastatin Calcium Combined with Hyperbaric Oxygen Mediated p38MAPK Pathway in Rats with Leukoaraiosis.","authors":"Yafeng Shi, Gemin Zhu, Jun Yan, Linxin Zhang, Yongku Du, Zhuoqiong Bian, Jing Fan","doi":"10.1007/s12013-025-01702-9","DOIUrl":"https://doi.org/10.1007/s12013-025-01702-9","url":null,"abstract":"<p><p>This study explored the neuroprotective mechanism of rosuvastatin calcium (RSC) combined with hyperbaric oxygen (HBO) in rats with leukoaraiosis (LA), and its impact on the p38MAPK signaling pathway (SPW). Clean-grade male SD rats were used as subjects, which were assigned into Sham group (SG), LA group (LAG), RSC group (RSCG), HBO group (HBOG), and RSC + HBO group (combination group, CG), 20 rats in each. At 14 d post-modeling, the effects of RSC, HBO, and RSC + HBO treatment on the cognitive function, brain neuronal cell apoptosis, brain tissue matrix metalloproteinases (MMPs) family gene expression, and the status of the p38MAPK SPW in LA rats were analyzed. As against the LAG, the escape latency (EL) was shortened, the count of platform crossings was augmented, the number of brain neuronal cell apoptosis decreased, the relative expression (RE) of brain TIMP-1, MMP-2, MMP-3, and MMP-9 mRNA were reduced (P < 0.05), and the RE of brain cleaved caspase (Cas)-3 and p-p38MAPK proteins were reduced in the RSCG, HBOG, and CG (P < 0.05); As against the RSCG and HBOG, the CG showed more visible improvements in all indicators (P < 0.05). The combination of RSC and HBO can inhibit brain neuronal cell apoptosis and the expression of the MMPs family genes in rats with LA by suppressing the overactivation of the p38MAPK SPW, which is beneficial for the recovery of the rats' cognitive function.</p>","PeriodicalId":510,"journal":{"name":"Cell Biochemistry and Biophysics","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-03-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143676718","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Computational Analysis of Plasmodium falciparum DNA Damage Inducible Protein 1 (PfDdi1): Insights into Binding of Artemisinin and its Derivatives and Implications for Antimalarial Drug Design.","authors":"Ernest Oduro-Kwateng, Ibrahim Oluwatobi Kehinde, Musab Ali, Kabange Kasumbwe, Vuyisa Mzozoyana, Narasimham L Parinandi, Mahmoud E S Soliman","doi":"10.1007/s12013-025-01709-2","DOIUrl":"https://doi.org/10.1007/s12013-025-01709-2","url":null,"abstract":"<p><p>Human malaria remains a global health challenge, with Plasmodium falciparum responsible for the most severe cases. Despite global efforts, eradicating malaria has proven difficult, mainly because of the rise in drug resistance, particularly against artemisinin and its derivatives. One possible cause of this resistance is the activation of the unfolded protein response (UPR), which helps maintain cellular balance under stress. In P. falciparum, the UPR operates through the ubiquitin-proteasome system (UPS), which involves proteins such as Dsk2, Rad23, and Ddi1. Among these, Plasmodium falciparum DNA-damage-inducible protein 1 (PfDdi1) plays a crucial role in DNA repair and is present throughout the parasite life cycle, making it an attractive drug target. However, there is limited research on PfDdi1 as a therapeutic target. Recent in vitro studies have indicated that artemisinin (ART) and dihydroartemisinin (DHA) inhibit PfDdi1 activity. Building on this, we investigated whether ART and its derivatives could serve as inhibitors of PfDdi1 using computational modeling. Our study included clinically relevant ART derivatives such as artemether (ARM), arteether (AET), artemiside (AMD), and artesunate (ATS). All these compounds showed strong binding to PfDdi1, with free binding energies ranging from -20.75 kcal/mol for AET to -34.24 kcal/mol for ATS. ARM increased PfDdi1's structural rigidity and hydrophobic stability, whereas AMD improved its kinetic stability, resulting in the least residue motion. Unlike AET and AMD, the other ligands destabilize the PfDdi1 structure. Importantly, three key binding regions-Loop 1 (GLN 266 - ILE 269), Loop 2 (ILE 323 - TYR 326), and Loop 3 (ALA 292 - GLY 294)-were identified as potential targets for new antimalarial drugs against PfDdi1. This study highlights the potential of ART derivatives as PfDdi1 inhibitors, paving the way for further experimental validation.</p>","PeriodicalId":510,"journal":{"name":"Cell Biochemistry and Biophysics","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143668570","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}