Computational identification of marine-derived therapeutic leads targeting the acyl-homoserine-lactone synthase (AHL) in drug-resistant Acinetobacter baumannii (Strain AYE) [0.03%]
计算鉴定治疗难治性鲍曼不动杆菌（AYE株）药物的海洋衍生治疗先导物针对酰基-高丝氨酸-环 lactone合成酶(AHL)
Atikulla Shaikh,Santhiya Panchalingam,Hamad A Al-Lohedan et al.
Atikulla Shaikh et al.
Antimicrobial resistance is posing a major threat to public health, thus contributing to a surge in treatment failure, prolonged infections, and rising mortality. In the present study, a multi-tier virtual screening approach was employed to...
Bismuth (III) chloride in organic synthesis: an exclusive focus on its catalytic versatility, green credentials, and mechanistic insights [0.03%]
有机合成中的氯化铋(III):聚焦其催化性能、绿色特性和机理研究
Mohd Aamir Bin Riyaz,Jixiang Ni,Yufen Zhao
Mohd Aamir Bin Riyaz
Bismuth (III) chloride (BiCl3) has emerged as a powerful and ecofriendly Lewis acid catalyst in modern organic synthesis. Distinguished by its low toxicity, affordability, and environmental compatibility, BiCl3 offers an attractive alternat...
Systems biology and single-cell transcriptome analysis identify potential therapeutic targets and impaired neurogenesis in human cortical development related to autism spectrum disorder [0.03%]
系统生物学和单细胞转录组分析识别自闭症谱系障碍相关的人类皮层发育的潜在治疗靶点及神经发生缺陷
Mohamed A Akela,Muhammad Tahir Ul Qamar,Mubarak A Alamri
Mohamed A Akela
Autism Spectrum Disorder (ASD) has been linked to disturbance of the coordinated transcriptional mechanisms that govern neurogenesis, neuronal differentiation, and synaptic maturation in human cortical development. Nevertheless, the regulat...
Recent progress in the application of CF3-imidoyl sulfoxonium ylides in transition metal-catalyzed C-H functionalization [0.03%]
近来CF3-亚氨基硫鎓亚胺阳离子在金属催化C-H官能团化反应中的应用进展
Xiaoying Zhao,Dulin Kong,Hongliang Wu et al.
Xiaoying Zhao et al.
The incorporation of CF3 groups into molecules represents a significant strategy in medicinal chemistry, as this modification can profoundly enhance their biological activities. CF3-imidoyl sulfoxonium ylides (TFISYs) have emerged as versat...
Pyrimidine derivatives as anticancer agents targeting kinases: design strategies, biological evaluation, and structure-activity relationship insights [0.03%]
嘧啶衍生物作为针对激酶的抗肿瘤药物的设计策略、生物评估及结构活性关系研究
Manjushree Bv,Gurubasavaraja Swamy Purawarga Matada,Rohit Pal et al.
Manjushree Bv et al.
Protein kinases such as EGFR, VEGFR, PI3K, and CDKs play crucial roles in tumor progression and therapeutic resistance, making them prime targets in anticancer drug development. Among the structural scaffolds explored for designing selectiv...
Recent trends in anti-Alzheimer's potential of novel biologically active isatin analogues: synthetic strategies, structural activity relationship studies and molecular docking insights [0.03%]
新型生物活性吲哚茋类似物抗阿尔茨海默潜能的 recent trends：合成策略、结构活性关系研究和分子对接见解
Rajarshi Nath,Anhic Chakraborty,Md Jawaid Akhtar et al.
Rajarshi Nath et al.
Alzheimer's disease is a progressive neurodegenerative illness i.e., characterized by cognitive decline, memory impairment, cholinergic dysfunction, oxidative stress, Aβ aggregation, tau hyperphosphorylation and neuroinflammation. Due to m...
Integrating machine learning-based molecular design with experimental validation for the discovery of EGFR inhibitors in lung cancer [0.03%]
基于机器学习的分子设计与实验验证相结合用于肺癌EGFR抑制剂的发现
Hailing Qie,Liyuan Wang,Ce Li et al.
Hailing Qie et al.
The emergence of drug resistance and off-target toxicities in epidermal growth factor receptor (EGFR) targeted therapies underscores the urgent need for novel inhibitor scaffolds. This study integrates artificial intelligence-driven generat...
Rational design of low-risk and high-efficiency β-triketone herbicide alternatives via integrative computational toxicology and NGBoost modeling [0.03%]
基于整合计算毒理学和NGBoost建模的低风险高效β-三酮类除草剂替代品的理性设计
Yuanquan Chi,GuoFeng Zu,Hongyu Ma et al.
Yuanquan Chi et al.
β-Triketone herbicides (bTHs) are widely applied in crops such as maize, rice, and sorghum. However, their efficacy on some gramineous weeds is limited, and concerns over their persistence and toxicity are rising. In this study, a comprehe...
Design, synthesis, antibacterial activity evaluation, and mechanism of action study of novel pyrrolidine derivatives containing sulfonamide structures [0.03%]
含磺酰胺结构的吡咯烷衍生物的设计、合成、抗菌活性及作用机制研究
Tonghong Xia,Laiqi Li,Xinyu Wang et al.
Tonghong Xia et al.
Bacterial biofilms serve as innate protective frameworks, sheltering embedded microbes to sustain their survival while potentially enhancing antimicrobial resistance by blocking bactericide penetration. While extensive research has focused ...
BCAT1 mediates the carcinogenic effects of environmental bisphenol exposure: mechanistic discoveries in osteosarcoma and pan-cancer analysis [0.03%]
环境双酚暴露的致癌作用由BCAT1介导：骨肉瘤和泛癌分析中的机制发现
Sun Jiahao,Wang Cong,Li Xin et al.
Sun Jiahao et al.
Bisphenols (including BPA, BPF, BPS, BPAF and TBBPA) are ubiquitous environmental endocrine disruptors linked to increased risk of multiple malignancies, yet their carcinogenic mechanisms remain poorly understood. To address this gap, the p...