Haemoglobin-based oxygen carriers (HBOCs) could improve the hypoxic state of non-small-cell lung cancer (NSCLC) and increase radiotherapy sensitivity. We assessed the in vitro effects of nano-HBOC + irradiation therapy (IR) on NSCLC cells and the in vivo effect on a mouse model. H385 human NSCLC cell line was used to evaluate the nano-HBOC effect + IR on the cellular partial pressure of oxygen (pO2), cell activity and changes in reactive oxygen species (ROS) 1-2 h post-exposure. An NSCLC tumour-bearing mouse model was established to evaluate nano-HBOC+IR efficacy 28 d post-exposure. In vitro, pO2 tended to increase in nano-HBOC groups versus control, cell activity decreased (p < 0.01) and ROS level increased (p < 0.05). Post-irradiation, pO2 increased in nano-HBOC+IR groups versus control (p < 0.01), viability decreased (p < 0.01) and ROS increased (p < 0.01). No significant difference between nano-HBOC groups was observed. In vivo, nano-HBOC was most abundant at the tumour site and pO2 increased 6 h post-injection (p > 0.05). Tumour size was smaller in the IR and nano-HBOC+IR groups versus control. ROS levels and cell death were significantly increased. Nano-HBOC can improve pO2, enhance radiotherapy's inhibitory ability on NSCLC cell lines and tumour-bearing mouse models, and promote ROS release.
{"title":"Nano-haemoglobin-based oxygen carrier increases the radiosensitivity of non-small-cell lung cancer.","authors":"Changmin Liu, Yong Li, Shanhui Feng, Xiaoran Lv, Fengjuan Li, Binglou Wong, Jiaxin Liu, Chengmin Yang","doi":"10.1080/21691401.2025.2503369","DOIUrl":"https://doi.org/10.1080/21691401.2025.2503369","url":null,"abstract":"<p><p>Haemoglobin-based oxygen carriers (HBOCs) could improve the hypoxic state of non-small-cell lung cancer (NSCLC) and increase radiotherapy sensitivity. We assessed the <i>in vitro</i> effects of nano-HBOC + irradiation therapy (IR) on NSCLC cells and the <i>in vivo</i> effect on a mouse model. H385 human NSCLC cell line was used to evaluate the nano-HBOC effect + IR on the cellular partial pressure of oxygen (pO<sub>2</sub>), cell activity and changes in reactive oxygen species (ROS) 1-2 h post-exposure. An NSCLC tumour-bearing mouse model was established to evaluate nano-HBOC+IR efficacy 28 d post-exposure. <i>In vitro</i>, pO<sub>2</sub> tended to increase in nano-HBOC groups <i>versus</i> control, cell activity decreased (<i>p</i> < 0.01) and ROS level increased (<i>p</i> < 0.05). Post-irradiation, pO<sub>2</sub> increased in nano-HBOC+IR groups <i>versus</i> control (<i>p</i> < 0.01), viability decreased (<i>p</i> < 0.01) and ROS increased (<i>p</i> < 0.01). No significant difference between nano-HBOC groups was observed. <i>In vivo</i>, nano-HBOC was most abundant at the tumour site and pO<sub>2</sub> increased 6 h post-injection (<i>p</i> > 0.05). Tumour size was smaller in the IR and nano-HBOC+IR groups <i>versus</i> control. ROS levels and cell death were significantly increased. Nano-HBOC can improve pO<sub>2</sub>, enhance radiotherapy's inhibitory ability on NSCLC cell lines and tumour-bearing mouse models, and promote ROS release.</p>","PeriodicalId":8736,"journal":{"name":"Artificial Cells, Nanomedicine, and Biotechnology","volume":"53 1","pages":"244-252"},"PeriodicalIF":4.5,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144198214","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-01Epub Date: 2025-08-07DOI: 10.1080/21691401.2025.2540646
Jayanta Kumar Patra, Han-Seung Shin, Gitishree Das
In this study, gold nanoparticles (AuNPs) were bio-fabricated using the water extract of marine brown seaweed Hizikia fusiformis (Hfs), commonly eaten as food in Southeast Asia, Korea, China, and Japan, and in other parts of the world. This process offers massive potential for the manufacture of new-generation nanomaterials utilizing sustainable seaweed components and explores its biological (tyrosinase, antidiabetic, antioxidant) and environmental (photocatalytic degradation of toxic industrial dyes) applications. Different spectroscopic approaches were employed to characterize and confirm the fabrication of Hfs-AuNPs. UV-Vis spectroscopy displayed the Hfs-AuNP's surface plasmon resonance at 534 nm. The XRD result revealed the crystalline nature of the nanoparticle. According to FT-IR analysis, various phytoconstituents like polyphenols and polysaccharides from the Hfs extract contributed to the reduction and stabilization of Hfs-AuNPs. Hfs-AuNPs displayed a spherical form with a zeta potential of -18.6 mV. Notably, Hfs-AuNPs exhibited encouraging tyrosinase inhibition (31.74 % inhibition while kojic acid showed 52.40 % inhibition at 100 µg/ml), antidiabetic effect (56.38 % α-amylase activity while acarbose exhibited 61.19 % activity at 100 µg/ml), and antioxidant properties (82.89 % of DPPH scavenging while 60.04 % scavenging by BHT and 63.73 SOD effect while 61.77 % scavenging by BHT at 100 µg/ml). Besides, Hfs-AuNPs also displayed positive photocatalytic degradation of toxic industrial dyes like methylene blue (29.20 % degradation at 5 h) and methyl orange (21.26 % degradation at 3 h). The above eco-friendly, cost-effective, and sustainable synthesis method can be explored further for large-scale production and future substantial applications in therapeutic and industrial needs.
{"title":"Seaweed extract as a sustainable resource for Au nanoparticle synthesis and its biological and environmental applications.","authors":"Jayanta Kumar Patra, Han-Seung Shin, Gitishree Das","doi":"10.1080/21691401.2025.2540646","DOIUrl":"https://doi.org/10.1080/21691401.2025.2540646","url":null,"abstract":"<p><p>In this study, gold nanoparticles (AuNPs) were bio-fabricated using the water extract of marine brown seaweed Hizikia fusiformis (Hfs), commonly eaten as food in Southeast Asia, Korea, China, and Japan, and in other parts of the world. This process offers massive potential for the manufacture of new-generation nanomaterials utilizing sustainable seaweed components and explores its biological (tyrosinase, antidiabetic, antioxidant) and environmental (photocatalytic degradation of toxic industrial dyes) applications. Different spectroscopic approaches were employed to characterize and confirm the fabrication of Hfs-AuNPs. UV-Vis spectroscopy displayed the Hfs-AuNP's surface plasmon resonance at 534 nm. The XRD result revealed the crystalline nature of the nanoparticle. According to FT-IR analysis, various phytoconstituents like polyphenols and polysaccharides from the Hfs extract contributed to the reduction and stabilization of Hfs-AuNPs. Hfs-AuNPs displayed a spherical form with a zeta potential of -18.6 mV. Notably, Hfs-AuNPs exhibited encouraging tyrosinase inhibition (31.74 % inhibition while kojic acid showed 52.40 % inhibition at 100 µg/ml), antidiabetic effect (56.38 % α-amylase activity while acarbose exhibited 61.19 % activity at 100 µg/ml), and antioxidant properties (82.89 % of DPPH scavenging while 60.04 % scavenging by BHT and 63.73 SOD effect while 61.77 % scavenging by BHT at 100 µg/ml). Besides, Hfs-AuNPs also displayed positive photocatalytic degradation of toxic industrial dyes like methylene blue (29.20 % degradation at 5 h) and methyl orange (21.26 % degradation at 3 h). The above eco-friendly, cost-effective, and sustainable synthesis method can be explored further for large-scale production and future substantial applications in therapeutic and industrial needs.</p>","PeriodicalId":8736,"journal":{"name":"Artificial Cells, Nanomedicine, and Biotechnology","volume":"53 1","pages":"381-398"},"PeriodicalIF":4.5,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144793370","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Ageing significantly contributes to osteoarthritis (OA) and metabolic syndrome (MetS) pathogenesis, yet the underlying mechanisms remain unknown. This study aimed to identify ageing-related biomarkers in OA patients with MetS. OA and MetS datasets and ageing-related genes (ARGs) were retrieved from public databases. The limma package was used to identify differentially expressed genes (DEGs), and weighted gene coexpression network analysis (WGCNA) screened gene modules, and machine learning algorithms, such as random forest (RF), support vector machine (SVM), generalised linear model (GLM), and extreme gradient boosting (XGB), were employed. The nomogram and receiver operating characteristic (ROC) curve assess the diagnostic value, and CIBERSORT analysed immune cell infiltration. We identified 20 intersecting genes among DEGs of OA, key module genes of MetS, and ARGs. By comparing the accuracy of the four machine learning models for disease prediction, the SVM model, which includes CEBPB, PTEN, ARPC1B, PIK3R1, and CDC42, was selected. These hub ARGs not only demonstrated strong diagnostic values based on nomogram data but also exhibited a significant correlation with immune cell infiltration. Building on these findings, we have identified five hub ARGs that are associated with immune cell infiltration and have constructed a nomogram aimed at early diagnosing OA patients with MetS.
{"title":"Unveiling the ageing-related genes in diagnosing osteoarthritis with metabolic syndrome by integrated bioinformatics analysis and machine learning.","authors":"Jian Huang, Lu Wang, Jiangfei Zhou, Tianming Dai, Weicong Zhu, Tianrui Wang, Hongde Wang, Yingze Zhang","doi":"10.1080/21691401.2025.2471762","DOIUrl":"10.1080/21691401.2025.2471762","url":null,"abstract":"<p><p>Ageing significantly contributes to osteoarthritis (OA) and metabolic syndrome (MetS) pathogenesis, yet the underlying mechanisms remain unknown. This study aimed to identify ageing-related biomarkers in OA patients with MetS. OA and MetS datasets and ageing-related genes (ARGs) were retrieved from public databases. The limma package was used to identify differentially expressed genes (DEGs), and weighted gene coexpression network analysis (WGCNA) screened gene modules, and machine learning algorithms, such as random forest (RF), support vector machine (SVM), generalised linear model (GLM), and extreme gradient boosting (XGB), were employed. The nomogram and receiver operating characteristic (ROC) curve assess the diagnostic value, and CIBERSORT analysed immune cell infiltration. We identified 20 intersecting genes among DEGs of OA, key module genes of MetS, and ARGs. By comparing the accuracy of the four machine learning models for disease prediction, the SVM model, which includes CEBPB, PTEN, ARPC1B, PIK3R1, and CDC42, was selected. These hub ARGs not only demonstrated strong diagnostic values based on nomogram data but also exhibited a significant correlation with immune cell infiltration. Building on these findings, we have identified five hub ARGs that are associated with immune cell infiltration and have constructed a nomogram aimed at early diagnosing OA patients with MetS.</p>","PeriodicalId":8736,"journal":{"name":"Artificial Cells, Nanomedicine, and Biotechnology","volume":"53 1","pages":"57-68"},"PeriodicalIF":4.5,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143531033","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-01Epub Date: 2025-08-02DOI: 10.1080/21691401.2025.2540647
Magdalena Ziąbka, Agnieszka Wojteczko, Karolina Klesiewicz, Elżbieta Menaszek, Sebastian Komarek, Paweł Kwaśniewski, Wojciech Chrzanowski
Zirconia-based composites are promising materials for medical and dental applications. They are widely used due to their osteoconductivity and chemical stability. Moreover, when modified with beneficial fillers, they combine mechanical strength with bioactivity. This study addresses the interplay between bioactive fillers, cytotoxicity, antibacterial activity, and reactive oxygen species (ROS) levels in ZrO2 composites. The composites were tested for their biological properties. Thanks to hydrothermally obtained zirconia used in ZrO2/HAp composites the sintering temperature was reduced, which limited hydroxyapatite decomposition. However, ZrO2/HAp composites revealed higher cytotoxicity and ROS levels, linked to calcium ion release resulting from the partial HAp decomposition. Composites with BGCu exhibited strong antibacterial activity and acceptable cytotoxicity due to copper ions disrupting microbial structures and inducing oxidative stress. hBN-containing composites displayed moderate bacteriostatic activity but higher cytotoxicity than BGCu composites. These findings highlight the potential of ZrO2/BGCu composites as bioactive materials for bone regeneration and antimicrobial applications. While composites with hydroxyapatite demonstrate a balance between bioactivity and cytotoxicity, BGCu emerge as a promising modification to enhance antibacterial properties with controlled cytotoxicity. Further research is needed to optimise filler compositions to balance ion release, biological stability, and functionality.
{"title":"Antimicrobial properties and bioactivity of zirconia-based biocomposites.","authors":"Magdalena Ziąbka, Agnieszka Wojteczko, Karolina Klesiewicz, Elżbieta Menaszek, Sebastian Komarek, Paweł Kwaśniewski, Wojciech Chrzanowski","doi":"10.1080/21691401.2025.2540647","DOIUrl":"https://doi.org/10.1080/21691401.2025.2540647","url":null,"abstract":"<p><p>Zirconia-based composites are promising materials for medical and dental applications. They are widely used due to their osteoconductivity and chemical stability. Moreover, when modified with beneficial fillers, they combine mechanical strength with bioactivity. This study addresses the interplay between bioactive fillers, cytotoxicity, antibacterial activity, and reactive oxygen species (ROS) levels in ZrO<sub>2</sub> composites. The composites were tested for their biological properties. Thanks to hydrothermally obtained zirconia used in ZrO<sub>2</sub>/HAp composites the sintering temperature was reduced, which limited hydroxyapatite decomposition. However, ZrO<sub>2</sub>/HAp composites revealed higher cytotoxicity and ROS levels, linked to calcium ion release resulting from the partial HAp decomposition. Composites with BGCu exhibited strong antibacterial activity and acceptable cytotoxicity due to copper ions disrupting microbial structures and inducing oxidative stress. hBN-containing composites displayed moderate bacteriostatic activity but higher cytotoxicity than BGCu composites. These findings highlight the potential of ZrO<sub>2</sub>/BGCu composites as bioactive materials for bone regeneration and antimicrobial applications. While composites with hydroxyapatite demonstrate a balance between bioactivity and cytotoxicity, BGCu emerge as a promising modification to enhance antibacterial properties with controlled cytotoxicity. Further research is needed to optimise filler compositions to balance ion release, biological stability, and functionality.</p>","PeriodicalId":8736,"journal":{"name":"Artificial Cells, Nanomedicine, and Biotechnology","volume":"53 1","pages":"361-378"},"PeriodicalIF":4.5,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144768257","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Hypoxia-induced brain damage can cause consciousness, memory failure and death. HK2 and TPI1 were investigated to see how they change hypoxia sensitivity in neurons and non-neurons. Hypoxia sensitivity is determined by the differential overexpression of both important glycolytic enzymes in neuronal and non-neuronal cells. C6 glioma cells expressed greater HK2 and TPI1 protein than neuro 2A cells, which were more sensitive to hypoxia-induced cell death by MTT and lactate dehydrogenase leakage assay. After 48 h of hypoxia, C6 glioma cells displayed substantial protein upregulation of HK2 and TPI1 glycolytic proteins but not mRNA. Hypoxia did not raise HK2 and TPI1 mRNA transcription, pointing at post-transcriptional protein regulation. Using di-cistronic and promoter-less di-cistronic assays, we discovered significant IRES regions in HK2 and TPI1 mRNA's 5'UTR, more active in C6 glioma cells with polypyrimidine tract binding (PTB) protein. We concluded that non-neuronal cells varied in HK2 and TPI1 overexpression, altering their vulnerability to hypoxia-induced cell death. Adjusting HK2, TP1 and PTB levels may prevent hypoxia-induced brain cell death. These results offer new information on glycolytic enzyme modulation under hypoxia, crucial for comprehending cell survival in hypoxic situations. This could affect situations like neurodegenerative illnesses or ischaemic injuries, where hypoxia-induced cell death is crucial.
{"title":"IRES activation: HK2 and TPI1 glycolytic enzymes play a pivotal role in non-neuronal cell survival under hypoxia.","authors":"Rehana Ismail, Imtiyaz Ahmed Najar, Mohamed Rahamathulla, Mahboob-Ul- Hussain, Muddasir Sharief Banday, Sushma Devi, Poonam Arora, Manish Kumar, Thippeswamy Boreddy Shivanandappa, Mohammed Muqtader Ahmed, Ismail Pasha","doi":"10.1080/21691401.2025.2480601","DOIUrl":"10.1080/21691401.2025.2480601","url":null,"abstract":"<p><p>Hypoxia-induced brain damage can cause consciousness, memory failure and death. HK2 and TPI1 were investigated to see how they change hypoxia sensitivity in neurons and non-neurons. Hypoxia sensitivity is determined by the differential overexpression of both important glycolytic enzymes in neuronal and non-neuronal cells. C6 glioma cells expressed greater HK2 and TPI1 protein than neuro 2A cells, which were more sensitive to hypoxia-induced cell death by MTT and lactate dehydrogenase leakage assay. After 48 h of hypoxia, C6 glioma cells displayed substantial protein upregulation of HK2 and TPI1 glycolytic proteins but not mRNA. Hypoxia did not raise HK2 and TPI1 mRNA transcription, pointing at post-transcriptional protein regulation. Using di-cistronic and promoter-less di-cistronic assays, we discovered significant IRES regions in HK2 and TPI1 mRNA's 5'UTR, more active in C6 glioma cells with polypyrimidine tract binding (PTB) protein. We concluded that non-neuronal cells varied in HK2 and TPI1 overexpression, altering their vulnerability to hypoxia-induced cell death. Adjusting HK2, TP1 and PTB levels may prevent hypoxia-induced brain cell death. These results offer new information on glycolytic enzyme modulation under hypoxia, crucial for comprehending cell survival in hypoxic situations. This could affect situations like neurodegenerative illnesses or ischaemic injuries, where hypoxia-induced cell death is crucial.</p>","PeriodicalId":8736,"journal":{"name":"Artificial Cells, Nanomedicine, and Biotechnology","volume":"53 1","pages":"139-152"},"PeriodicalIF":4.5,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143656173","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-01Epub Date: 2025-09-23DOI: 10.1080/21691401.2025.2558471
{"title":"Statement of Retraction.","authors":"","doi":"10.1080/21691401.2025.2558471","DOIUrl":"https://doi.org/10.1080/21691401.2025.2558471","url":null,"abstract":"","PeriodicalId":8736,"journal":{"name":"Artificial Cells, Nanomedicine, and Biotechnology","volume":"53 1","pages":"437"},"PeriodicalIF":4.5,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145124086","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-01Epub Date: 2025-09-23DOI: 10.1080/21691401.2025.2558472
{"title":"Statement of Retraction.","authors":"","doi":"10.1080/21691401.2025.2558472","DOIUrl":"https://doi.org/10.1080/21691401.2025.2558472","url":null,"abstract":"","PeriodicalId":8736,"journal":{"name":"Artificial Cells, Nanomedicine, and Biotechnology","volume":"53 1","pages":"438"},"PeriodicalIF":4.5,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145124110","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-01Epub Date: 2025-07-18DOI: 10.1080/21691401.2025.2531748
Taufik Muhammad Fakih, Farendina Suarantika, Aulia Fikri Hidayat, Dwi Syah Fitra Ramadhan, Muchtaridi Muchtaridi
Purpose: This study aims to identify potential RNA polymerase (RNAP) inhibitors using a comprehensive computational approach, addressing the challenges in drug discovery related to stability, affinity, and accurate binding predictions.
Patients and methods: The research workflow involved virtual screening to narrow down candidate compounds, molecular docking to predict optimal binding poses, molecular dynamics (MD) simulations to evaluate interaction stability over time, and MM-PBSA analysis to calculate binding energies. These steps ensured that only compounds with strong and stable binding profiles were selected for further evaluation.
Results: The selected compounds, ZINC001286671821, ZINC000253654686, and ZINC000252693842, demonstrated varying degrees of stability and affinity. MM-PBSA analysis revealed that ZINC000252693842 had the most favourable binding energy at -106.097 ± 24.664 kJ/mol, followed by ZINC001286671821 at -89.201 ± 22.647 kJ/mol, and ZINC000253654686 at -43.832 ± 23.748 kJ/mol. Van der Waals forces were the main contributors to stability, with values of -221.032 ± 27.721 kJ/mol, -187.136 ± 23.796 kJ/mol, and -157.232 ± 19.676 kJ/mol, respectively. These findings confirm the strong binding potential of ZINC000252693842 as an RNAP inhibitor.
Conclusion: This study highlights the effectiveness of combining virtual screening, molecular docking, MD simulations, and MM-PBSA analysis in identifying promising RNAP inhibitors. The results establish a strong foundation for further experimental validation, advancing the development of effective therapeutic agents targeting RNA polymerase.
{"title":"Virtual screening, molecular docking, and molecular dynamics simulation reveal new insights into RNA polymerase inhibition for anti-tuberculosis drug discovery.","authors":"Taufik Muhammad Fakih, Farendina Suarantika, Aulia Fikri Hidayat, Dwi Syah Fitra Ramadhan, Muchtaridi Muchtaridi","doi":"10.1080/21691401.2025.2531748","DOIUrl":"https://doi.org/10.1080/21691401.2025.2531748","url":null,"abstract":"<p><strong>Purpose: </strong>This study aims to identify potential RNA polymerase (RNAP) inhibitors using a comprehensive computational approach, addressing the challenges in drug discovery related to stability, affinity, and accurate binding predictions.</p><p><strong>Patients and methods: </strong>The research workflow involved virtual screening to narrow down candidate compounds, molecular docking to predict optimal binding poses, molecular dynamics (MD) simulations to evaluate interaction stability over time, and MM-PBSA analysis to calculate binding energies. These steps ensured that only compounds with strong and stable binding profiles were selected for further evaluation.</p><p><strong>Results: </strong>The selected compounds, ZINC001286671821, ZINC000253654686, and ZINC000252693842, demonstrated varying degrees of stability and affinity. MM-PBSA analysis revealed that ZINC000252693842 had the most favourable binding energy at -106.097 ± 24.664 kJ/mol, followed by ZINC001286671821 at -89.201 ± 22.647 kJ/mol, and ZINC000253654686 at -43.832 ± 23.748 kJ/mol. Van der Waals forces were the main contributors to stability, with values of -221.032 ± 27.721 kJ/mol, -187.136 ± 23.796 kJ/mol, and -157.232 ± 19.676 kJ/mol, respectively. These findings confirm the strong binding potential of ZINC000252693842 as an RNAP inhibitor.</p><p><strong>Conclusion: </strong>This study highlights the effectiveness of combining virtual screening, molecular docking, MD simulations, and MM-PBSA analysis in identifying promising RNAP inhibitors. The results establish a strong foundation for further experimental validation, advancing the development of effective therapeutic agents targeting RNA polymerase.</p>","PeriodicalId":8736,"journal":{"name":"Artificial Cells, Nanomedicine, and Biotechnology","volume":"53 1","pages":"304-325"},"PeriodicalIF":4.5,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144663870","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-01Epub Date: 2025-10-24DOI: 10.1080/21691401.2025.2575233
{"title":"Retraction Statement: Upregulation of long noncoding RNA RP4 exacerbates hypoxia injury in cardiomyocytes through regulating miR-939/Bnip3/Wnt/β-catenin pathway.","authors":"","doi":"10.1080/21691401.2025.2575233","DOIUrl":"https://doi.org/10.1080/21691401.2025.2575233","url":null,"abstract":"","PeriodicalId":8736,"journal":{"name":"Artificial Cells, Nanomedicine, and Biotechnology","volume":"53 1","pages":"492"},"PeriodicalIF":4.5,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145713100","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-08-01Epub Date: 2025-08-10DOI: 10.1080/21691401.2025.2542847
Seyoung Lee, Eun-Young Ahn, Tsu-I Wang, Youmie Park
Mass spectrometry-based profiling of Korean red ginseng (Panax ginseng) root extracts by high-resolution LC-ESI-TOF-MS was conducted to identify the constituting compounds including ginsenosides, terpenoids and sugars. The constituting compounds were identified by accurate mass measurement and MS/MS patterns. Both extracts were successfully applied for the synthesis of gold nanoparticles (AuNPs). Mostly spherical-shaped AuNPs were identified and X-ray diffraction analysis confirmed their face-centred cubic crystallinity. The average size was in the range of 10.5 ± 2.4 nm ∼ 13.9 ± 5.1 nm. The AuNPs retained colloidal stability at 4 °C in the dark for 7 days. Cell viability was assessed with human breast adenocarcinoma and human epithelial cervix adenocarcinoma cells. At Au concentrations up to 200 ∼ 240 μM, no significant cytotoxicity was observed, suggesting the potential applications of the AuNPs as drug delivery carriers. 4-Nitrophenol, methyl orange and methylene blue degradation reactions were carried out to study the catalytic activity of the AuNPs. The rate constants varied in a range of 2.14 × 10-3/sec ∼ 16.81 × 10-3/sec. The catalytic activity of the AuNPs was the most effective in the methyl orange degradation reaction. The convergence strategy combining nanotechnology and natural products can increase the applicability of Korean red ginseng with prospective applications in nanomedicine and catalysis.
{"title":"Korean red ginseng (<i>panax ginseng</i>) root extract for the green synthesis of gold nanoparticles: assessment of cell viability and catalytic activity.","authors":"Seyoung Lee, Eun-Young Ahn, Tsu-I Wang, Youmie Park","doi":"10.1080/21691401.2025.2542847","DOIUrl":"https://doi.org/10.1080/21691401.2025.2542847","url":null,"abstract":"<p><p>Mass spectrometry-based profiling of Korean red ginseng (<i>Panax ginseng</i>) root extracts by high-resolution LC-ESI-TOF-MS was conducted to identify the constituting compounds including ginsenosides, terpenoids and sugars. The constituting compounds were identified by accurate mass measurement and MS/MS patterns. Both extracts were successfully applied for the synthesis of gold nanoparticles (AuNPs). Mostly spherical-shaped AuNPs were identified and X-ray diffraction analysis confirmed their face-centred cubic crystallinity. The average size was in the range of 10.5 ± 2.4 nm ∼ 13.9 ± 5.1 nm. The AuNPs retained colloidal stability at 4 °C in the dark for 7 days. Cell viability was assessed with human breast adenocarcinoma and human epithelial cervix adenocarcinoma cells. At Au concentrations up to 200 ∼ 240 μM, no significant cytotoxicity was observed, suggesting the potential applications of the AuNPs as drug delivery carriers. 4-Nitrophenol, methyl orange and methylene blue degradation reactions were carried out to study the catalytic activity of the AuNPs. The rate constants varied in a range of 2.14 × 10<sup>-3</sup>/sec ∼ 16.81 × 10<sup>-3</sup>/sec. The catalytic activity of the AuNPs was the most effective in the methyl orange degradation reaction. The convergence strategy combining nanotechnology and natural products can increase the applicability of Korean red ginseng with prospective applications in nanomedicine and catalysis.</p>","PeriodicalId":8736,"journal":{"name":"Artificial Cells, Nanomedicine, and Biotechnology","volume":"53 1","pages":"399-419"},"PeriodicalIF":4.5,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144815675","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}