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Corrigendum to "Detection and analysis of cerebral aneurysms based on X-ray rotational angiography - the CADA 2020 challenge" [Medical Image Analysis, April 2022, Volume 77, 102333]. 基于 X 射线旋转血管造影的脑动脉瘤检测和分析--CADA 2020 挑战"[《医学图像分析》,2022 年 4 月,第 77 卷,102333] 勘误。
IF 10.7 1区 医学
Medical image analysis Pub Date : 2025-02-01 Epub Date: 2024-10-10 DOI: 10.1016/j.media.2024.103363
Matthias Ivantsits, Leonid Goubergrits, Jan-Martin Kuhnigk, Markus Huellebrand, Jan Bruening, Tabea Kossen, Boris Pfahringer, Jens Schaller, Andreas Spuler, Titus Kuehne, Yizhuan Jia, Xuesong Li, Suprosanna Shit, Bjoern Menze, Ziyu Su, Jun Ma, Ziwei Nie, Kartik Jain, Yanfei Liu, Yi Lin, Anja Hennemuth
{"title":"Corrigendum to \"Detection and analysis of cerebral aneurysms based on X-ray rotational angiography - the CADA 2020 challenge\" [Medical Image Analysis, April 2022, Volume 77, 102333].","authors":"Matthias Ivantsits, Leonid Goubergrits, Jan-Martin Kuhnigk, Markus Huellebrand, Jan Bruening, Tabea Kossen, Boris Pfahringer, Jens Schaller, Andreas Spuler, Titus Kuehne, Yizhuan Jia, Xuesong Li, Suprosanna Shit, Bjoern Menze, Ziyu Su, Jun Ma, Ziwei Nie, Kartik Jain, Yanfei Liu, Yi Lin, Anja Hennemuth","doi":"10.1016/j.media.2024.103363","DOIUrl":"10.1016/j.media.2024.103363","url":null,"abstract":"","PeriodicalId":18328,"journal":{"name":"Medical image analysis","volume":" ","pages":"103363"},"PeriodicalIF":10.7,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142400702","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
3D printing: trends and approaches toward achieving long-term sustainability in the food industry. 三维打印:实现食品工业长期可持续性的趋势和方法。
IF 8.1 2区 工程技术
Critical Reviews in Biotechnology Pub Date : 2025-02-01 Epub Date: 2024-05-26 DOI: 10.1080/07388551.2024.2344577
Priyamvada Thorakkattu, Nancy Awasti, Karthik Sajith Babu, Anandu Chandra Khanashyam, Aiswariya Deliephan, Kartik Shah, Punit Singh, R Pandiselvam, Nilesh Prakash Nirmal
{"title":"3D printing: trends and approaches toward achieving long-term sustainability in the food industry.","authors":"Priyamvada Thorakkattu, Nancy Awasti, Karthik Sajith Babu, Anandu Chandra Khanashyam, Aiswariya Deliephan, Kartik Shah, Punit Singh, R Pandiselvam, Nilesh Prakash Nirmal","doi":"10.1080/07388551.2024.2344577","DOIUrl":"10.1080/07388551.2024.2344577","url":null,"abstract":"<p><p>Global food security has recently been under serious threat from the rapid rise in the world's population, the problems brought on by climate change, and the appearance of new pandemics. As a result, the need for novel and innovative solutions to solve the existing problems and improve food sustainability has become crucial. 3D printing is expected to play a significant role in providing tangible contributions to the food industry in achieving sustainable development goals. The 3D food printing holds the potential to produce highly customized food in terms of shape, texture, flavor, structure and nutritional value and enable us to create new unique formulations and edible alternatives. The problem of whether the cost of the printed meal and 3D printing itself can be sustainably produced is becoming more and more important due to global concerns. This review intends to provide a comprehensive overview of 3D printed foods with an overview of the current printing methodologies, illustrating the technology's influencing factors, and its applications in personalized nutrition, packaging, value addition, and valorization aspects to fully integrate sustainability concerns thus exploring the potential of 3D food printing.</p>","PeriodicalId":10752,"journal":{"name":"Critical Reviews in Biotechnology","volume":" ","pages":"48-68"},"PeriodicalIF":8.1,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141154773","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Oligonucleotide probes for imaging and diagnosis of bacterial infections. 用于成像和诊断细菌感染的寡核苷酸探针。
IF 8.1 2区 工程技术
Critical Reviews in Biotechnology Pub Date : 2025-02-01 Epub Date: 2024-06-03 DOI: 10.1080/07388551.2024.2344574
Luís Moreira, Nuno Miguel Guimarães, Rita Sobral Santos, Joana Angélica Loureiro, Maria do Carmo Pereira, Nuno Filipe Azevedo
{"title":"Oligonucleotide probes for imaging and diagnosis of bacterial infections.","authors":"Luís Moreira, Nuno Miguel Guimarães, Rita Sobral Santos, Joana Angélica Loureiro, Maria do Carmo Pereira, Nuno Filipe Azevedo","doi":"10.1080/07388551.2024.2344574","DOIUrl":"10.1080/07388551.2024.2344574","url":null,"abstract":"<p><p>The rise of infectious diseases as a public health concern has necessitated the development of rapid and precise diagnostic methods. Imaging techniques like nuclear and optical imaging provide the ability to diagnose infectious diseases within the body, eliminating delays caused by sampling and pre-enrichments of clinical samples and offering spatial information that can aid in a more informed diagnosis. Traditional molecular probes are typically created to image infected tissue without accurately identifying the pathogen. In contrast, oligonucleotides can be tailored to target specific RNA sequences, allowing for the identification of pathogens, and even generating antibiotic susceptibility profiles by focusing on drug resistance genes. Despite the benefits that nucleic acid mimics (NAMs) have provided in terms of stabilizing oligonucleotides, the inadequate delivery of these relatively large molecules into the cytoplasm of bacteria remains a challenge for widespread use of this technology. This review summarizes the key advancements in the field of oligonucleotide probes for <i>in vivo</i> imaging, highlighting the most promising delivery systems described in the literature for developing optical imaging through <i>in vivo</i> hybridization.</p>","PeriodicalId":10752,"journal":{"name":"Critical Reviews in Biotechnology","volume":" ","pages":"128-147"},"PeriodicalIF":8.1,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141237329","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Escherichia coli and Pichia pastoris: microbial cell-factory platform for -full-length IgG production. 大肠杆菌和毕赤菌:生产全长 IgG 的微生物细胞工厂平台。
IF 8.1 2区 工程技术
Critical Reviews in Biotechnology Pub Date : 2025-02-01 Epub Date: 2024-05-26 DOI: 10.1080/07388551.2024.2342969
Shyam Krishna, Sang Taek Jung, Eun Yeol Lee
{"title":"<i>Escherichia coli</i> and <i>Pichia pastoris</i>: microbial cell-factory platform for -full-length IgG production.","authors":"Shyam Krishna, Sang Taek Jung, Eun Yeol Lee","doi":"10.1080/07388551.2024.2342969","DOIUrl":"10.1080/07388551.2024.2342969","url":null,"abstract":"<p><p>Owing to the unmet demand, the pharmaceutical industry is investigating an alternative host to mammalian cells to produce antibodies for a variety of therapeutic and research applications. Regardless of some disadvantages, <i>Escherichia coli</i> and <i>Pichia pastoris</i> are the preferred microbial hosts for antibody production. Despite the fact that the production of full-length antibodies has been successfully demonstrated in <i>E. coli</i>, which has mostly been used to produce antibody fragments, such as: antigen-binding fragments (Fab), single-chain fragment variable (scFv), and nanobodies. In contrast, <i>Pichia</i>, a eukaryotic microbial host, is mostly used to produce glycosylated full-length antibodies, though hypermannosylated glycan is a major challenge. Advanced strategies, such as the introduction of human-like glycosylation in endotoxin-edited <i>E</i>. <i>coli</i> and cell-free system-based glycosylation, are making progress in creating human-like glycosylation profiles of antibodies in these microbes. This review begins by explaining the structural and functional requirements of antibodies and continues by describing and analyzing the potential of <i>E. coli</i> and <i>P. pastoris</i> as hosts for providing a favorable environment to create a fully functional antibody. In addition, authors compare these microbes on certain features and predict their future in antibody production. Briefly, this review analyzes, compares, and highlights <i>E. coli</i> and <i>P. pastoris</i> as potential hosts for antibody production.</p>","PeriodicalId":10752,"journal":{"name":"Critical Reviews in Biotechnology","volume":" ","pages":"191-213"},"PeriodicalIF":8.1,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141154772","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A comprehensive review on the recent advances for 5-aminolevulinic acid production by the engineered bacteria. 全面回顾工程菌生产 5-氨基乙酰丙酸的最新进展。
IF 8.1 2区 工程技术
Critical Reviews in Biotechnology Pub Date : 2025-02-01 Epub Date: 2024-05-05 DOI: 10.1080/07388551.2024.2336532
Ying-Ying Chen, Jia-Cong Huang, Cai-Yun Wu, Shi-Qin Yu, Yue-Tong Wang, Chao Ye, Tian-Qiong Shi, He Huang
{"title":"A comprehensive review on the recent advances for 5-aminolevulinic acid production by the engineered bacteria.","authors":"Ying-Ying Chen, Jia-Cong Huang, Cai-Yun Wu, Shi-Qin Yu, Yue-Tong Wang, Chao Ye, Tian-Qiong Shi, He Huang","doi":"10.1080/07388551.2024.2336532","DOIUrl":"10.1080/07388551.2024.2336532","url":null,"abstract":"<p><p>5-Aminolevulinic acid (5-ALA) is a non-proteinogenic amino acid essential for synthesizing tetrapyrrole compounds, including heme, chlorophyll, cytochrome, and vitamin B12. As a plant growth regulator, 5-ALA is extensively used in agriculture to enhance crop yield and quality. The complexity and low yield of chemical synthesis methods have led to significant interest in the microbial synthesis of 5-ALA. Advanced strategies, including the: enhancement of precursor and cofactor supply, compartmentalization of key enzymes, product transporters engineering, by-product formation reduction, and biosensor-based dynamic regulation, have been implemented in bacteria for 5-ALA production, significantly advancing its industrialization. This article offers a comprehensive review of recent developments in 5-ALA production using engineered bacteria and presents new insights to propel the field forward.</p>","PeriodicalId":10752,"journal":{"name":"Critical Reviews in Biotechnology","volume":" ","pages":"148-163"},"PeriodicalIF":8.1,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140864330","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The Developing Human Connectome Project: A fast deep learning-based pipeline for neonatal cortical surface reconstruction.
IF 10.7 1区 医学
Medical image analysis Pub Date : 2025-02-01 Epub Date: 2024-11-26 DOI: 10.1016/j.media.2024.103394
Qiang Ma, Kaili Liang, Liu Li, Saga Masui, Yourong Guo, Chiara Nosarti, Emma C Robinson, Bernhard Kainz, Daniel Rueckert
{"title":"The Developing Human Connectome Project: A fast deep learning-based pipeline for neonatal cortical surface reconstruction.","authors":"Qiang Ma, Kaili Liang, Liu Li, Saga Masui, Yourong Guo, Chiara Nosarti, Emma C Robinson, Bernhard Kainz, Daniel Rueckert","doi":"10.1016/j.media.2024.103394","DOIUrl":"10.1016/j.media.2024.103394","url":null,"abstract":"<p><p>The Developing Human Connectome Project (dHCP) aims to explore developmental patterns of the human brain during the perinatal period. An automated processing pipeline has been developed to extract high-quality cortical surfaces from structural brain magnetic resonance (MR) images for the dHCP neonatal dataset. However, the current implementation of the pipeline requires more than 6.5 h to process a single MRI scan, making it expensive for large-scale neuroimaging studies. In this paper, we propose a fast deep learning (DL) based pipeline for dHCP neonatal cortical surface reconstruction, incorporating DL-based brain extraction, cortical surface reconstruction and spherical projection, as well as GPU-accelerated cortical surface inflation and cortical feature estimation. We introduce a multiscale deformation network to learn diffeomorphic cortical surface reconstruction end-to-end from T2-weighted brain MRI. A fast unsupervised spherical mapping approach is integrated to minimize metric distortions between cortical surfaces and projected spheres. The entire workflow of our DL-based dHCP pipeline completes within only 24 s on a modern GPU, which is nearly 1000 times faster than the original dHCP pipeline. The qualitative assessment demonstrates that for 82.5% of the test samples, the cortical surfaces reconstructed by our DL-based pipeline achieve superior (54.2%) or equal (28.3%) surface quality compared to the original dHCP pipeline.</p>","PeriodicalId":18328,"journal":{"name":"Medical image analysis","volume":"100 ","pages":"103394"},"PeriodicalIF":10.7,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142780635","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
State-of-the-art electron beams for compact tools of ultrafast science.
IF 2.1 3区 工程技术
Ultramicroscopy Pub Date : 2025-01-01 Epub Date: 2024-11-26 DOI: 10.1016/j.ultramic.2024.114080
Peter Salén, Anatoliy Opanasenko, Giovanni Perosa, Vitaliy Goryashko
{"title":"State-of-the-art electron beams for compact tools of ultrafast science.","authors":"Peter Salén, Anatoliy Opanasenko, Giovanni Perosa, Vitaliy Goryashko","doi":"10.1016/j.ultramic.2024.114080","DOIUrl":"10.1016/j.ultramic.2024.114080","url":null,"abstract":"<p><p>We review state-of-the-art electron beams for single-shot megaelectronvolt ultrafast electron diffraction (MeV-UED) and compact light sources. Our primary focus is on sub-100 femtosecond electron bunches in the 2-30 MeV energy range. We demonstrate that our new and recent simulation results permit significantly improved bunch parameters for these applications.</p>","PeriodicalId":23439,"journal":{"name":"Ultramicroscopy","volume":"268 ","pages":"114080"},"PeriodicalIF":2.1,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142772741","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The preventive effect of silver diamine fluoride-modified salivary pellicle on dental erosion. 二胺氟化银改性唾液胶粒对牙齿腐蚀的预防效果。
IF 4.6 1区 医学
Dental Materials Pub Date : 2025-01-01 Epub Date: 2024-10-29 DOI: 10.1016/j.dental.2024.10.014
Darren Dhananthat Chawhuaveang, Walter Yu Hang Lam, Chun Hung Chu, Ollie Yiru Yu
{"title":"The preventive effect of silver diamine fluoride-modified salivary pellicle on dental erosion.","authors":"Darren Dhananthat Chawhuaveang, Walter Yu Hang Lam, Chun Hung Chu, Ollie Yiru Yu","doi":"10.1016/j.dental.2024.10.014","DOIUrl":"10.1016/j.dental.2024.10.014","url":null,"abstract":"<p><strong>Objective: </strong>To investigate the preventive effect of silver diamine fluoride (SDF) modified salivary pellicle (SP) against dental erosion.</p><p><strong>Methods: </strong>Enamel and dentin blocks allocated into 4 groups (n = 30 each). Blocks in Group SDF+SP were treated with SDF and SP. Blocks in Group SDF were treated with SDF. Blocks in Group DW+SP were treated with deionized water (DW) and SP. Blocks in Group DW were treated with DW. The blocks were subjected to an erosive challenge at pH 3.2 for 2 mins, 5 times per day for 14 days. Salivary pellicle morphology was assessed by atomic force microscopy (AFM). Crystal characteristics, percentage microhardness loss (%SMHL), surface loss, and surface morphology were assessed by X-ray diffraction (XRD), microhardness test, profilometry, and scanning electron microscopy (SEM), respectively.</p><p><strong>Results: </strong>AFM revealed a modified pellicle morphology in Group SDF+SP. XRD of both blocks revealed hydroxyapatite, silver chloride, silver phosphate, and silver fluoride in Groups SDF+SP and SDF. Fluoroapatite was found in Group SDF+SP only. %SMHL ( ± Standard deviation in %) of Groups SDF+SP, SDF, DW+SP, and DW were 33.4 ± 2.2, 38.6 ± 2.2, 50.3 ± 2.2, and 58.3 ± 2.4 in enamel and 16.1 ± 2.2, 19.7 ± 2.1, 32.8 ± 2.1, and 39.0 ± 2.3 in dentin, respectively. The presence of SDF and SP reduced %SMHL in both blocks (p < 0.001). The surface loss ( ± Standard deviation in μm) of Groups SDF+SP, SDF, DW+SP, and DW were 3.6 ± 0.7, 4.1 ± 0.4, 5.3 ± 0.5, and 7.0 ± 0.6 in enamel and 5.4 ± 0.6, 6.1 ± 0.5, 9.1 ± 0.7, and 9.2 ± 0.5 in dentin, respectively. The presence of SDF and SP reduced surface loss in enamel and dentin blocks (p = 0.031 and p = 0.002, respectively). SEM showed enamel surface remained relatively smooth and partially dentinal tubule occlusion on dentin blocks in Groups SDF+SP and SDF.</p><p><strong>Conclusion: </strong>SDF had a positively synergistic effect with SP. SDF-modified salivary pellicle provided a superior protective effect against dental erosion.</p>","PeriodicalId":298,"journal":{"name":"Dental Materials","volume":" ","pages":"58-69"},"PeriodicalIF":4.6,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142542502","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Characterization and application of Lachancea thermotolerans isolates for sake brewing. 用于清酒酿造的 Lachancea thermotolerans 分离物的特征和应用。
IF 2.3 4区 生物学
Journal of bioscience and bioengineering Pub Date : 2025-01-01 Epub Date: 2024-11-02 DOI: 10.1016/j.jbiosc.2024.10.004
Miyu Nakatani, Rina Ohtani, Kiwamu Umezawa, Taiyo Uchise, Yoshifumi Matsuo, Yasuhisa Fukuta, Eri Obata, Aruma Katabuchi, Kento Kizaki, Hana Kitazume, Masataka Ohashi, Katsuki Johzuka, Atsushi Kurata, Koichi Uegaki
{"title":"Characterization and application of Lachancea thermotolerans isolates for sake brewing.","authors":"Miyu Nakatani, Rina Ohtani, Kiwamu Umezawa, Taiyo Uchise, Yoshifumi Matsuo, Yasuhisa Fukuta, Eri Obata, Aruma Katabuchi, Kento Kizaki, Hana Kitazume, Masataka Ohashi, Katsuki Johzuka, Atsushi Kurata, Koichi Uegaki","doi":"10.1016/j.jbiosc.2024.10.004","DOIUrl":"10.1016/j.jbiosc.2024.10.004","url":null,"abstract":"<p><p>Non-conventional yeasts are increasingly being used in the production of fermented beverages owing to their ability to create unique and high-quality products. The yeast Lachancea thermotolerans is of great industrial significance, particularly in the production of l(+)-lactic acid, which is beneficial for acidifying wine, beer, and potentially sake. To explore its potential in sake brewing, three L. thermotolerans strains were isolated from natural environments and their physiological and fermentative characteristics were examined. The isolates surpassed the L. thermotolerans type strain (NBRC 1985) in lactic acid production under various culture conditions and exhibited comparable growth rates to that of Saccharomyces cerevisiae at 15-20 °C. Sake brewing tests using these isolates yielded approximately 3500 ppm of lactic acid, with a slightly lower production of aroma components compared to that produced by sake yeast, and an ethanol content of approximately 11-12 % was obtained. Reverse transcription-quantitative polymerase chain reaction revealed variable expression in putative lactate dehydrogenase genes depending on the culture conditions. Our findings suggest that L. thermotolerans strains can be used in sake brewing to produce unique sake.</p>","PeriodicalId":15199,"journal":{"name":"Journal of bioscience and bioengineering","volume":" ","pages":"30-35"},"PeriodicalIF":2.3,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142568685","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}
引用次数: 0
Exploration of leads from bis-indole based triazine derivatives targeting human aldose reductase in diabetic type 2: in-silico approaches. 从双吲哚基三嗪衍生物中探索针对 2 型糖尿病人醛糖还原酶的线索:硅内方法。
IF 2.6 4区 生物学
3 Biotech Pub Date : 2025-01-01 Epub Date: 2024-12-11 DOI: 10.1007/s13205-024-04178-1
Miah Roney, Abdul Rashid Issahaku, Md Nazim Uddin, Anke Wilhelm, Mohd Fadhlizil Fasihi Mohd Aluwi
{"title":"Exploration of leads from bis-indole based triazine derivatives targeting human aldose reductase in diabetic type 2: in-silico approaches.","authors":"Miah Roney, Abdul Rashid Issahaku, Md Nazim Uddin, Anke Wilhelm, Mohd Fadhlizil Fasihi Mohd Aluwi","doi":"10.1007/s13205-024-04178-1","DOIUrl":"10.1007/s13205-024-04178-1","url":null,"abstract":"<p><p>Diabetes mellitus (DM) poses a major global healthcare challenge, highlighting the need for new treatments beyond current options. Currently available drugs have side effects including weight gain, nausea, vomiting, diarrhea, insulin resistance etc. Therefore, given the benefits of indole derivatives in diabetes and the lack of computational studies on bis-indole-based triazine derivatives with aldose reductase (AR), this study employs in-silico analysis to explore their potential as type-2 diabetes treatments. Based on the Differential Expression analysis, the human aldose reductase (HAR) encoding gene AKR1B1 showed overexpression in GSE30122 diabetes patients (Log2FC = 0.62, <i>P</i> < 0.01). Moreover, the compounds 2-((5,6-di(1H-indol-3-yl)-1,2,4-triazin-3-yl)thio)-1-(3-hydroxy-5-methylphenyl)ethan-1-one (4) and 2-((5,6-di(1H-indol-3-yl)-1,2,4-triazin-3-yl)thio)-1-(4-nitrophenyl)ethan-1-one (8) were identified as leading candidates, showing binding energies of - 62.12, - 81.73 kcal/mol and - 57.19, - 85.97 kcal/mol, respectively. Docking, MM/GBSA screening, molecular dynamics (MD) simulations, PCA, and post-MM/GBSA analysis confirmed their stability and favorable binding compared to the apo protein and control. Further in-vitro, in-vivo, and clinical studies are required to validate their therapeutic potential.</p>","PeriodicalId":7067,"journal":{"name":"3 Biotech","volume":"15 1","pages":"5"},"PeriodicalIF":2.6,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11635081/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142827171","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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