Coumarin-sulfonamide hybrids as PKM2 activators induce metabolic reprogramming and suppress ovarian cancer cell growth [0.03%]
香豆素磺胺类PKM2激活剂通过诱导代谢重编程抑制卵巢癌细胞生长
Deep Rohan Chatterjee,Gourav Choudhary,Shailendra Sharma et al.
Deep Rohan Chatterjee et al.
Coumarin-piperazine sulfonamides (CPS series) were rationally designed as hybrid modulators of pyruvate kinase M2 (PKM2) to exploit metabolic vulnerabilities in ovarian cancer. Phenotypic screening across cancer cell lines guided hit identi...
Recent advances in the development of small-molecule drugs based on covalent reversible inhibitors [0.03%]
基于可逆共价抑制剂的小分子药物开发进展
Zi Ye,Jiubo Sun,Chong-Jing Zhang
Zi Ye
Reversible covalent inhibitors (RCIs) are a class of small-molecule drugs that engage target proteins through covalent bonds. Unlike irreversible covalent inhibitors, RCIs can dissociate from their target. This reversibility, combined with ...
Computational hybrid approach of PBPK simulation and CGCNN models for human intravenous pharmacokinetics [0.03%]
基于PBPK模拟和CGCNN模型的计算杂化方法在人类静脉药代动力学中的应用
Kiyoshi Hasegawa,Yuya Seki
Kiyoshi Hasegawa
In drug discovery, it is not sufficient for a lead compound to exhibit high binding affinity for the target protein alone. It is equally important to predict an optimal pharmacokinetic (PK) profile that reflects the physicochemical properti...
Assessing the use of foundation model embeddings to improve drug response predictions using scRNA-Seq expression data [0.03%]
利用基础模型嵌入改进使用单细胞基因表达数据的药物反应预测
William Davey,Yu Liu,Kiyoshi Hasegawa
William Davey
Cancer drug response (CDR) prediction is challenging due to tumor heterogeneity and limited amount of high-quality response data. Large foundation models trained on single-cell RNA-Seq data have been reported to improve the performance of a...
Sequence specificity of peptide nucleic acids containing terminal cationic amino acids [0.03%]
含末端阳离子氨基酸的肽核酸的序列特异性
Simeon O Kwange,Rambabu Dakarapu,Sarah L Wicks et al.
Simeon O Kwange et al.
Molecular recognition of DNA/RNA by peptide nucleic acids (PNAs) has proven to be a successful strategy to create research and diagnostic tools. An ongoing challenge in the development of useful PNAs has been optimizing sequence specificity...
Functionalization of cyclotriveratrilene with tetrazole and phenothiazine for doxorubicin coordination and delivery [0.03%]
用于阿霉素配位和递送的四氮唑和吩噻嗪修饰的cyclotriveratrilene功能化
Nallagari Bharath Sagar Reddy,Haritha Rengamanar,Shabir Hyder Wani et al.
Nallagari Bharath Sagar Reddy et al.
We successfully synthesized cyclotriveratrilene functionalized with the hydrophilic heterocycles tetrazole and phenothiazine, which are commonly used to modify drug molecules. We examined their ability to coordinate doxorubicin in a dimethy...
Novel (Z)-3-(2-(quinazolin-4-yloxy)phenyl)acrylates as potential EGFR inhibitors deriving from the renovation of coumarin skeletons: Design, synthesis, characterization and antineoplastic activity [0.03%]
新型（Z）-3-（2-（喹唑啉-4-基氧）苯基）丙烯酸酯作为EGFR抑制剂的潜在药物：源于香豆素骨架改造的设计、合成、表征及抗肿瘤活性研究
Ruiying Wang,Siqi Wang,Xiaona Ren et al.
Ruiying Wang et al.
The inhibitors of epidermal growth factor receptor (EGFR) have emerged as one of fastest-growing medications that are widely utilized to control the spread and proliferation of malignant tumors. Based on the structural features of quinazoli...
Design, synthesis, and biological evaluation of novel multifunctional caffeic acid-piperazine derivatives for the management of Alzheimer's disease [0.03%]
新型 caffeic 酸-哌嗪 衍生物 的 设计 、 合成 及 生物 学评价： 用于 管理阿尔茨海默病
Sunil Kumar,Neeraj Kumar,Sairam Krishnamurthy et al.
Sunil Kumar et al.
Alzheimer's disease (AD), the most prevalent form of dementia, is marked by progressive memory impairment, cognitive decline, reduced acetylcholine level, oxidative stress, amyloid-β (Aβ) aggregation, and disturbances in metal homeostasis...
Design, synthesis, and evaluation of 4-(aminomethyl)-2-(phenylamino)pyridine derivatives as novel lysyl oxidase-like 2 inhibitors against metastatic melanoma [0.03%]
设计、合成和评估4-（氨基甲基）-2-（苯胺）吡啶衍生物作为新型lysyl氧化酶类似物2抑制剂以对抗转移性黑色素瘤
Geng Yu,Yaoren Qiu,Jie Xie et al.
Geng Yu et al.
Despite extensive validation of lysyl oxidase-like 2 (LOXL2) as a therapeutic target in metastatic cancer, there have been few therapeutic applications of corresponding inhibitors until now. Herein, we reported the design, synthesis, and bi...
A sustainable approach to 1,3-Oxathiolan-5-ones and their identification as a new anthelmintic scaffold [0.03%]
可持续的1,3-氧硫杂环戊酮的方法及其作为新型抗蠕虫化合物的研究
Fernando J Lorenzo,Tania V Veuthey,María José De Rosa et al.
Fernando J Lorenzo et al.
We report an efficient and sustainable solvent-free microwave protocol for the synthesis of a diverse library of 1,3-oxathiolan-5-ones from aromatic, aliphatic, and sugar-derived aldehydes. The method requires no catalysts or organic solven...