Introducing CLipPA lipid chemodiversity to enzymatically truncated polymyxin B: a soft drug strategy to combat Gram-negative pathogens [0.03%]
剪短多粘菌素B的CLipPA脂化化学多样性：对抗革兰氏阴性病原体的软药物策略
Tae-Ung Na,Yann O Hermant,Andrew Siow et al.
Tae-Ung Na et al.
A chemodiverse library of new semi-synthetic antimicrobial peptides is reported herein. The polymyxin B nonapeptide (PMBN) holds promise as a developmental platform to access potent antimicrobial lipopeptide derivatives that circumvent the ...
Leveraging fragment-based drug discovery to advance 3D scaffolds into potent ligands: application to the histamine H1 receptor [0.03%]
基于片段的药物发现推进三维骨架成为潜在配体：组胺H1受体的应用
Tom Dekker,Oscar P J van Linden,Herman D Lim et al.
Tom Dekker et al.
Fragment-based drug discovery (FBDD) often relies on screening simple, 2D aromatic fragments, with the introduction of 3D character typically being reserved for later stages of hit optimization. The use of 3D screening fragments has been li...
Design and optimization of simplified inhibitors targeting Escherichia coli and Klebsiella pneumoniae IspE [0.03%]
针对大肠杆菌和肺炎克雷伯氏菌简化抑制剂的设计与优化研究
Danica J Walsh,Rawia Hamid,Tim Giele et al.
Danica J Walsh et al.
The methylerythritol phosphate (MEP) pathway is essential for isoprenoid biosynthesis in many pathogenic bacteria but is absent in humans, making its enzymes attractive antibacterial targets. IspE catalyzes the ATP-dependent phosphorylation...
3-(Pyridine-3-ylmethylene)chroman-4-one and tetralone derivatives: synthesis, Mycobacterium tuberculosis CYP121A1 enzyme inhibition and antimycobacterial activity vs drug-sensitive and drug-resistant strains [0.03%]
3-（吡啶-3-基甲酰）色满酮和四氢萘酮衍生物：合成，结核菌CYP121A1酶抑制活性及对敏感分枝杆菌与耐药分支杆菌的抗菌作用研究
Lama A Alshabani,Jabril M Abdali,Alistair K Brown et al.
Lama A Alshabani et al.
CYP121A1 is a promising cytochrome P450 (CYP) drug target in Mycobacterium tuberculosis (Mtb) owing to its physiological importance in bacterial cell viability. The continuing rise of multidrug resistant (MDR) and extremely drug resistant (...
Biocompatible de novo indolylchalcones as platelet aggregation inhibition and diabetic wound healing agents [0.03%]
新型生物相容性吲哚黄酮类化合物作为抗血小板聚集和糖尿病伤口愈合药物的研究
Sumit Kumar,Radhika Chaurasia,Gaurav Kumar et al.
Sumit Kumar et al.
Cardiovascular diseases and chronic wounds, particularly in diabetic patients, pose significant therapeutic challenges due to impaired vascular function, persistent inflammation, and delayed tissue repair. Nitric oxide synthase (NOS) activa...
Exploring pyrazoline-thiophene hybrids as CDK2 inhibitors: synthesis, mechanism, biological studies, and computational insights [0.03%]
探索吡唑啉-噻吩杂化物作为CDK2抑制剂：合成、机制、生物研究和计算见解
Heba M Abosalim,Tarek F El-Moselhy,Nabaweya Sharafeldin et al.
Heba M Abosalim et al.
Pyrazoline-linked thiophenes (4a-p), a novel family of compounds, were designed and synthesized, and their anticancer potential was assessed. The most effective analogues of bis-thiophene (4n and 4o) and tris-thiophene (4p) were discovered ...
Synthesis of new trans-ferulic acid derivatives as potential anticancer agents and VEGFR-2 inhibitors [0.03%]
合成新的反式阿魏酸衍生物作为潜在的抗癌症药物和VEGFR-2抑制剂
Asmaa N Mohie,Mahmoud A Doheim,Ragab A El Masry et al.
Asmaa N Mohie et al.
VEGFR-2 signaling is the primary driver of angiogenesis, a process essential for tumor development and metastasis. Although trans-ferulic acid (TFA), a naturally occurring polyphenol, has demonstrated anticancer and antiangiogenic potential...
Discovery of a CHI3L1-targeted small molecule modulating neuroinflammation in Alzheimer's disease via DNA-encoded library (DEL) screening [0.03%]
基于DNA编码化合物库筛选的阿尔茨海默病治疗小分子及其作用机制研究
Baljit Kaur,Longfei Zhang,Hossam Nada et al.
Baljit Kaur et al.
Chitinase-3-like protein 1 (CHI3L1, also known as YKL-40) has emerged as a central effector of astrocyte-mediated neuroinflammation and a promising biomarker for Alzheimer's disease (AD). However, small molecule CHI3L1 inhibitors that modul...
Haidi Wu,Mengshi Zhao,Shifeng Ren et al.
Haidi Wu et al.
Carabrol, isolated from Carpesium macrocephalum Franch. & Sav., showed anti-inflammatory potential in LPS-induced RAW264.7 murine macrophages. We transformed the structure of carabrol and modified the carbon atoms at positions 11 and 13 to ...
Novel isoxazolone derivatives as acetylcholinesterase inhibitors: design, synthesis, in silico and in vitro evaluation [0.03%]
新型异噁唑酮衍生物作为乙酰胆碱酯酶抑制剂的设计、合成及体外评价与分子对接研究
Nitasha Gohar,Adil Saeed,Muzaffar Abbas et al.
Nitasha Gohar et al.
Acetylcholinesterase (AChE) plays a pivotal role in Alzheimer's disease by accelerating acetylcholine breakdown, leading to cognitive decline. In this study, a series of novel isoxazolone derivatives were synthesized and structurally charac...