Applied Biological Chemistry最新文献

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Status and perspective of neonicotinoid insecticides from ecological toxicity and residue 新烟碱类杀虫剂的生态毒性和残留研究现状与展望
IF 4.2 3区 农林科学
Applied Biological Chemistry Pub Date : 2026-09-17 DOI: 10.1186/s13765-026-01128-8
Kwang-Min Kim, Wasi Ullah, Hyo-Sup Lee, Jin-Hyo Kim
{"title":"Status and perspective of neonicotinoid insecticides from ecological toxicity and residue","authors":"Kwang-Min Kim,&nbsp;Wasi Ullah,&nbsp;Hyo-Sup Lee,&nbsp;Jin-Hyo Kim","doi":"10.1186/s13765-026-01128-8","DOIUrl":"10.1186/s13765-026-01128-8","url":null,"abstract":"<div><p>Neonicotinoids are a group of systemic insecticides that are used extensively in agriculture, accounting for approximately 25% of the global market. The efficacy and systemic action of these compounds make them effective agents that bind to insect nicotinic acetylcholine receptors (nAChRs). In particular, nitroguanidines had a dominant market share of approximately 86%, driven by insecticide activity in Asia and the Americas. However, the extensive utilization and contamination of these substances pose a significant threat to pollinators, aquatic invertebrates, birds, and mammals. These concerns have prompted significant regulatory actions, including the EU’s prohibition on the outdoor use of imidacloprid, clothianidin, and thiamethoxam; the extension of restrictions in France; and the phase-out of thiamethoxam and clothianidin in Canada, while their use persists at considerable levels in Asia and the Americas. In addition, synergistic toxicity is an emerging concern with Neonicotinoids and other pesticide groups. Therefore, robust monitoring of environmental media and development alternatives is required to effectively manage ecological safety. Such measures are necessary to ensure the security of food production whilst safeguarding human and ecosystem health.</p></div>","PeriodicalId":467,"journal":{"name":"Applied Biological Chemistry","volume":"69 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s13765-026-01128-8.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148986943","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Design principles for stable and balanced multigene expression in plant synthetic biology 植物合成生物学中稳定和平衡多基因表达的设计原则
IF 4.2 3区 农林科学
Applied Biological Chemistry Pub Date : 2026-09-16 DOI: 10.1186/s13765-026-01135-9
Nayoung Lee, Moonhyuk Kwon
{"title":"Design principles for stable and balanced multigene expression in plant synthetic biology","authors":"Nayoung Lee,&nbsp;Moonhyuk Kwon","doi":"10.1186/s13765-026-01135-9","DOIUrl":"10.1186/s13765-026-01135-9","url":null,"abstract":"<div><p>Plant synthetic biology is increasingly moving from single-gene transformation toward multigene systems that reconstruct metabolic pathways, produce valuable proteins, implement synthetic circuits, and respond to environmental inputs. However, stable multigene expression in plants is limited by failures that arise across multiple biological layers, including DNA delivery and integration, chromatin context, transcription and RNA processing, translation, protein targeting, and physiological burden. In this review, we discuss multigene expression as a context-aware and burden-aware design problem rather than a simple DNA assembly problem. We first summarize major mechanisms that destabilize transgene expression, including structural rearrangement, transcriptional and post-transcriptional gene silencing, inefficient 3’-end processing, transcriptional interference, combinatorial part effects, and metabolic burden. We then describe part-level and architecture-level strategies for improving expression stability. Finally, we highlight the need for context-aware and burden-aware validation of every introduced gene across stable events, generations, tissues, and environmental conditions.</p></div>","PeriodicalId":467,"journal":{"name":"Applied Biological Chemistry","volume":"69 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s13765-026-01135-9.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148986378","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Effect of hydroponic nutrient composition and the barley variety on saponarin production under white LED 白光LED下水培营养成分及大麦品种对皂素产量的影响
IF 4.2 3区 农林科学
Applied Biological Chemistry Pub Date : 2026-09-15 DOI: 10.1186/s13765-026-01134-w
Kyeong-Yeol Oh, Sang-Woo Kang, Hyeon-Jeong Seong, Kwang-Min Kim, Sun-In Jung, Yu-Sin Jang, Jin-Hyo Kim
{"title":"Effect of hydroponic nutrient composition and the barley variety on saponarin production under white LED","authors":"Kyeong-Yeol Oh,&nbsp;Sang-Woo Kang,&nbsp;Hyeon-Jeong Seong,&nbsp;Kwang-Min Kim,&nbsp;Sun-In Jung,&nbsp;Yu-Sin Jang,&nbsp;Jin-Hyo Kim","doi":"10.1186/s13765-026-01134-w","DOIUrl":"10.1186/s13765-026-01134-w","url":null,"abstract":"<div><p>This study investigates the effect of nutrient composition and barley cultivars on saponarin production in young barley leaves (YBL) under low-intensity white LED light. Various treatments involving K<sub>2</sub>HPO<sub>4</sub>, NaCl, and salicylic acid (SA) were evaluated to be under 6500 K light with 210 PPFD. Among different nutrient combinations, 600 mg L<sup>-1</sup> K<sub>2</sub>HPO<sub>4</sub> with 0.1% NaCl significantly enhanced saponarin concentration (12.3 g kg<sub>dw</sub><sup>-1</sup>) and total saponarin amount per plant (150 µg plant<sup>-1</sup>). In addition, the effects of light intensity on saponarin production were also examined across six barley cultivars, and the high light intensity (500 PPFD) notably increased total saponarin amount (212 µg plant<sup>-1</sup>) in Keunal-bori than Hyenuri cultivars. Otherwise, Hyenuri cultivar showed the highest total saponarin amount (114 µg plant<sup>-1</sup>) at low light intensity (100 PPFD), as well as the highest electricity efficiency (201 mg kWh<sup>-1</sup>). These findings provide valuable insights into optimizing cultivation conditions for each cultivar in plant factories to maximize saponarin production while balancing energy consumption and metabolic efficiency.</p></div>","PeriodicalId":467,"journal":{"name":"Applied Biological Chemistry","volume":"69 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s13765-026-01134-w.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148986161","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Safety assessment of selected polyphenolic marker compounds in plant-derived Korean health functional food ingredients and regulatory considerations 韩国植物性保健功能性食品成分中选定多酚标记化合物的安全性评估及监管考虑
IF 4.2 3区 农林科学
Applied Biological Chemistry Pub Date : 2026-09-12 DOI: 10.1186/s13765-026-01133-x
Gyoung-Deuck Kim, Hae-Yeon Lee, Eunju Kim
{"title":"Safety assessment of selected polyphenolic marker compounds in plant-derived Korean health functional food ingredients and regulatory considerations","authors":"Gyoung-Deuck Kim,&nbsp;Hae-Yeon Lee,&nbsp;Eunju Kim","doi":"10.1186/s13765-026-01133-x","DOIUrl":"10.1186/s13765-026-01133-x","url":null,"abstract":"<div><p>As of 2025, the South Korean health functional food (HFF) market has grown into a KRW 6.5 trillion industry, characterized by the diversification of consumer demands aligned with individual health statuses and interests. This trend has accelerated the launch of various HFF products featuring enhanced bioavailability or high contents of bioactive ingredients, while simultaneously fostering a consumer environment susceptible to overlapping or multiple intakes. To comprehensively diagnose the current status of HFF safety management in South Korea, this review investigated all 68 notified ingredients registered with the Ministry of Food and Drug Safety (MFDS) and the top 50 individually recognized ingredients based on sales volume, which collectively account for over 90% of the domestic HFF market. Our analysis revealed that approximately 21% of these major ingredients utilize polyphenolic substances as marker compounds to guarantee consistent quality and safety. While polyphenolic substances have garnered significant attention due to their well-documented health benefits—including antioxidant, anti-inflammatory, and drug-modulating activities—they also pose potential safety risks when consumed in excess or under various intake conditions. Therefore, this study closely examines the specific safety management frameworks of EGCG, curcumin, and quercetin, for which relatively abundant scientific data are available, as representative case studies. Based on these findings, we propose proactive regulatory considerations and policy guidelines, emphasizing that future safety regulations must incorporate factors such as enhanced bioavailability from advanced formulation technologies, potential drug-HFF interactions during multiple concomitant ingestions, and the distinct pharmacogenetic polymorphisms and dietary profiles of the Korean population.</p></div>","PeriodicalId":467,"journal":{"name":"Applied Biological Chemistry","volume":"69 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s13765-026-01133-x.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148927726","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Soil organic matter controls biochar–oil cake effects on inorganic nitrogen availability and mineralization kinetics in volcanic ash soils 土壤有机质控制着生物炭-油饼效应对火山灰土壤无机氮有效性和矿化动力学的影响
IF 4.2 3区 农林科学
Applied Biological Chemistry Pub Date : 2026-09-11 DOI: 10.1186/s13765-026-01125-x
Soe Sandar Aung, Hosung Lee, Bon-Jun Koo, Won-Pyo Park
{"title":"Soil organic matter controls biochar–oil cake effects on inorganic nitrogen availability and mineralization kinetics in volcanic ash soils","authors":"Soe Sandar Aung,&nbsp;Hosung Lee,&nbsp;Bon-Jun Koo,&nbsp;Won-Pyo Park","doi":"10.1186/s13765-026-01125-x","DOIUrl":"10.1186/s13765-026-01125-x","url":null,"abstract":"<div><p>Understanding nitrogen (N) mineralization is essential for accurately estimating N availability from various soil amendments, thereby minimizing nutrient losses and reducing environmental impacts. A laboratory leaching-incubation experiment was conducted to assess nitrogen (N) mineralization potential (N<sub>0</sub>) and kinetics in volcanic ash soils with varying soil organic matter (SOM) contents (Low: 11.7 g kg<sup>− 1</sup>; Medium: 66.1 g kg<sup>− 1</sup>; High: 134 g kg<sup>− 1</sup>), and to evaluate the effects of co-applying biochar with oil cake (OC) on soil N dynamics. Oil cake was applied at a rate of 200 kg N ha<sup>− 1</sup> in combination with biochar derived from satsuma mandarin pruning branches from Jeju orchards at 0%, 0.2%, 1%, and 2% (w/w) rates. Results showed that SOM level significantly influenced biochar effects on N<sub>0</sub> and N release. Using a first-order kinetic model, N<sub>0</sub> was highest in High SOM soils, followed by Medium and Low SOM soils, whereas the 2% biochar treatment consistently resulted in the lowest N<sub>0</sub> across all SOM levels. In Low SOM soils, inorganic N availability (NO<sub>3</sub><sup>−</sup>-N + NH<sub>4</sub><sup>+</sup>-N) decreased by 4.7%, 8.0%, and 12.9% with 0.2%, 1%, and 2% biochar additions, respectively, compared to the 0% biochar treatment. In contrast, biochar did not significantly affect N availability in High SOM soils. Overall, biochar moderated N mineralization by enhancing N immobilization and reducing the mineralization rate constant, thereby mitigating nitrate (NO<sub>3</sub><sup>−</sup>-N) leaching in agroecosystems. The effect was more pronounced in Low SOM soils, indicating that biochar application should be tailored to soil properties and environmental conditions to minimize NO<sub>3</sub><sup>−</sup>-N losses and improve N-use efficiency.</p></div>","PeriodicalId":467,"journal":{"name":"Applied Biological Chemistry","volume":"69 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s13765-026-01125-x.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148927801","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Unraveling the Regulation of Lipid Metabolism in Walnut (Juglans regia L.) Seeds Based on Metabolic Enzyme Activity and Transcriptomics 核桃脂质代谢调控机制的研究基于代谢酶活性和转录组学的种子
IF 4.2 3区 农林科学
Applied Biological Chemistry Pub Date : 2026-09-10 DOI: 10.1186/s13765-026-01123-z
Luyu Lv, Cuifang Zhang, Xian’an Yang, Jianjun Zhang, Chulan Zheng, Shiwei Wang
{"title":"Unraveling the Regulation of Lipid Metabolism in Walnut (Juglans regia L.) Seeds Based on Metabolic Enzyme Activity and Transcriptomics","authors":"Luyu Lv,&nbsp;Cuifang Zhang,&nbsp;Xian’an Yang,&nbsp;Jianjun Zhang,&nbsp;Chulan Zheng,&nbsp;Shiwei Wang","doi":"10.1186/s13765-026-01123-z","DOIUrl":"10.1186/s13765-026-01123-z","url":null,"abstract":"<div><p>Walnuts (<i>Juglans regia</i> L.) represents an economically important tree species, known for its woody oilseed. The synthesis of oil in their kernels involves complex physiological and biochemical changes. Elucidating changes in the expression profiles of genes associated with oil synthesis and accumulation, as well as in the activities of key enzymes involved in the oil synthesis pathway during walnut kernel development is of great significance for improving walnut oil content. In this study, the main walnut variety ‘Wen185’ (<i>Juglans</i> <i>regia</i> ‘Wen185’) cultivated in Xinjiang, China, was used as the experimental material to analyze the crude fat content, activities of oil metabolism-related enzymes and transcriptomic profile during walnut kernell development. Crude fat accumulation and enzyme activity analyses revealed that the growth trend of crude fat content in walnut kernels showed was S-shaped. The activities of acetyl-CoA carboxylase (ACCase), fatty acid synthase (FAS), and acyltransferase (AAT) during the key seasons were synchronized with oil accumulation, and the greatest increase was observed between the early and middle stages of oil conversion. The transcriptome analysis revealed that differentially expressed genes were significantly enriched in the fatty acid metabolism and fatty acid biosynthesis pathways. Based on the enriched metabolic pathways and metabolic pathways and weighted gene co-expression network analysis (WGCNA) results, genes associated with oil synthesis and accumulation, including <i>ACC-CTα</i>, <i>ACC-BCCP</i>, <i>KASII</i>, <i>SAD</i>, <i>FATA</i>, <i>LACS6</i>, and <i>DGAT, were </i> identified. Their expression was significantly upregulated from the early to the late stages of oil conversion, aligning with the trends in enzyme activity and oil content. Therefore, efficient oil accumulation in walnut kernels results from an integrated regulatory network of genes encoding key enzymes involved in the oil synthesis pathway. Specifically, the upregulated expression of genes such as <i>ACC-CTα</i>, <i>ACC-BCCP</i>, <i>KASII</i>, and <i>DGAT,</i> which encode ACCase, FAS, or AAT, likely enhances the activities of these key metabolic enzymes, thereby driving efficient oil synthesis and accumulation. These findings contribute to the development of genetic improvement strategies to achieve higher oil content in walnut kernels and provide new insights into the molecular mechanisms governing oil production during walnut kernel development.</p></div>","PeriodicalId":467,"journal":{"name":"Applied Biological Chemistry","volume":"69 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s13765-026-01123-z.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148927655","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Per- and polyfluoroalkyl substances in food systems: occurrence, analytical methods, toxicity, and risk assessment 食品系统中的全氟和多氟烷基物质:发生、分析方法、毒性和风险评估
IF 4.2 3区 农林科学
Applied Biological Chemistry Pub Date : 2026-09-09 DOI: 10.1186/s13765-026-01127-9
Peter Jesudara Olaniyi, Adebayo J. Akinboye, Joon-Goo Lee
{"title":"Per- and polyfluoroalkyl substances in food systems: occurrence, analytical methods, toxicity, and risk assessment","authors":"Peter Jesudara Olaniyi,&nbsp;Adebayo J. Akinboye,&nbsp;Joon-Goo Lee","doi":"10.1186/s13765-026-01127-9","DOIUrl":"10.1186/s13765-026-01127-9","url":null,"abstract":"<div><p>Per- and polyfluoroalkyl substances (PFAS) are a structurally diverse class of synthetic organofluoride compounds characterized by exceptional chemical stability, environmental mobility, and resistance to degradation. This review synthesizes current knowledge on PFAS toxicology, analytical determination, occurrence in food systems, and implications for human health risk assessment. Experimental and epidemiological evidence demonstrates that PFAS exposure is associated with a broad spectrum of adverse effects, including immune suppression, endocrine disruption, hepatotoxicity, reproductive and developmental toxicity, neurotoxicity, and carcinogenic potential. In addition to legacy PFAS, increasing attention has focused on emerging replacement compounds, including short-chain PFAS and fluorinated alternatives such as HFPO-DA (GenX), ADONA, 6:2 Cl-PFESA, and 6:2 FTAB, which are increasingly detected in environmental and food matrices and show growing evidence of persistence and potential toxicity. Their occurrence at trace levels in complex matrices necessitates advanced analytical approaches, with liquid chromatography coupled to tandem or high-resolution mass spectrometry, supported by solid-phase extraction and QuEChERS-based workflows, forming the core of contemporary PFAS determination. PFAS are widely detected across food categories, including fish, meat, dairy products, cereals, and vegetables, reflecting environmental contamination, bioaccumulation, and migration from food contact materials, with dietary intake remaining the predominant exposure pathway for the general population. Despite regulatory progress, substantial uncertainties remain regarding mixture toxicity, the long-term health effects of emerging PFAS, and the assessment of structurally diverse PFAS. Addressing these gaps will require standardized analytical methods, expanded surveillance programs, and more comprehensive risk assessment frameworks.</p></div>","PeriodicalId":467,"journal":{"name":"Applied Biological Chemistry","volume":"69 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s13765-026-01127-9.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148927259","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Gut microbial O-dealkylation of isoflavone derivatives by Blautia sp. MRG-PMF1 Blautia sp. MRG-PMF1的肠道微生物o -脱烷基异黄酮衍生物
IF 4.2 3区 农林科学
Applied Biological Chemistry Pub Date : 2026-09-08 DOI: 10.1186/s13765-026-01122-0
Santipap Chaiyasarn, Intira Khumthong, Jaehong Han
{"title":"Gut microbial O-dealkylation of isoflavone derivatives by Blautia sp. MRG-PMF1","authors":"Santipap Chaiyasarn,&nbsp;Intira Khumthong,&nbsp;Jaehong Han","doi":"10.1186/s13765-026-01122-0","DOIUrl":"10.1186/s13765-026-01122-0","url":null,"abstract":"<div><p>The anaerobic bacterium <i>Blautia</i> sp. MRG-PMF1 is known for its ability to biotransform aryl methyl ether and allyl aryl ether substrates via a cobalamin-dependent <i>O</i>-demethylase system. To investigate the substrate promiscuity of this corrinoid-dependent <i>O</i>-demethylase, we examined its activity toward isoflavone derivatives bearing alkoxy substituents other than methoxy groups. Remarkably, <i>Blautia</i> sp. MRG-PMF1 efficiently converted a range of 7-alkoxyisoflavones into 7-hydroxyisoflavone. To elucidate the reaction mechanism of this newly identified cobalamin-dependent <i>O</i>-dealkylase, <i>O</i>-dealkylation activity was assessed using cell-free extracts. The observed reactivity followed the order of <i>O</i>-ethyl &gt; <i>O</i>-methyl &gt; <i>O</i>-propyl &gt; <i>O</i>-isopropyl, suggesting that cleavage of the alkyl ether group proceeded through an S<sub>N</sub>2-type mechanism rather than a radical pathway. This study demonstrated for the first time that the cobalamin-dependent <i>O</i>-demethylase system could extend its activity to <i>O</i>-dealkylation, highlighting the broader metabolic capacity of the human gut microbiota to process diverse dietary natural products.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":467,"journal":{"name":"Applied Biological Chemistry","volume":"69 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-09-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s13765-026-01122-0.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148927112","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
In silico assessment of natural compounds against mycobacterium tuberculosis Rv1509 protein 抗结核分枝杆菌Rv1509蛋白天然化合物的计算机评价
IF 4.2 3区 农林科学
Applied Biological Chemistry Pub Date : 2026-09-07 DOI: 10.1186/s13765-026-01118-w
Haleema Fayaz, Waseem Ali, Gauri Shrivastava, Seyed E. Hasnain, Nasreen Z. Ehtesham, Anwar Alam
{"title":"In silico assessment of natural compounds against mycobacterium tuberculosis Rv1509 protein","authors":"Haleema Fayaz,&nbsp;Waseem Ali,&nbsp;Gauri Shrivastava,&nbsp;Seyed E. Hasnain,&nbsp;Nasreen Z. Ehtesham,&nbsp;Anwar Alam","doi":"10.1186/s13765-026-01118-w","DOIUrl":"10.1186/s13765-026-01118-w","url":null,"abstract":"<div><p>Tuberculosis (TB) remains a leading cause of mortality globally, driven by the infectious pathogen, <i>Mycobacterium tuberculosis (M.tb)</i>. A novel DNA methyltransferase (DNA MTase), encoded by the <i>Rv1509</i> gene and involved in TB pathogenesis, has been identified as a promising therapeutic target of anti-TB drugs. The present research employs an in silico approach to identify potential inhibitors of the <i>Rv1509</i>-encoded DNA MTase using a computational drug design pipeline. A multi-stage virtual screening of ZINC natural compounds was conducted against <i>Rv1509</i>. These phytomolecules were retrieved from the ZINC database, following computationally intensive docking and analysis of Absorption, Distribution, Metabolism, and Excretion (ADME) properties, top hits with a docking score ≤ -8.0 kcal/mol and favourable predicted pharmacokinetic profiles were prioritized. Subsequently, molecular dynamics simulations (MD) and principal component analysis (PCA) were employed to corroborate these hits. Of these, ZINC00338392, ZINC01662782, ZINC04104877, and ZINC96316367 ligands exhibited hydrogen bond formation with functional residue of DNA MTase, indicating biological relevance of binding. MD analysis revealed stable protein–ligand complexes during a 200 ns simulation. These computational analyses suggest that natural compounds bind with high predicted affinity to the active site of the <i>Rv1509</i>-encoded DNA MTase, warranting future experimental validation of their potential as novel leads for anti-TB drug development.</p></div>","PeriodicalId":467,"journal":{"name":"Applied Biological Chemistry","volume":"69 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-09-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s13765-026-01118-w.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148926777","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Structural and physiological adaptations of oat (Avena sativa L.) adaptation to low temperature and waterlogging stress under climate change 气候变化下燕麦(Avena sativa L.)对低温涝渍胁迫的结构和生理适应
IF 4.2 3区 农林科学
Applied Biological Chemistry Pub Date : 2026-09-07 DOI: 10.1186/s13765-026-01121-1
Eunchae Bae, Nusrat Jahan Methela, Nayun Lee, Yesol Lee, Garam Yu, Ji Seon Lee, Min-Jung Yook, Hyeon-Seong Yoo, Eun-Bin Hwang, Tae-Young Hwang, Gun-Ho Lee, Bong-Gyu Mun, Moon-Sub Lee
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