Discovery of pyrrolopyrimidinone inhibitors of the BCL6-SMRT corepressor interaction [0.03%]
BCL6-SMRT解离抑制剂吡咯并嘧啶酮类似物的发现
Iain D G Watson,Justin A Morin,Pandiaraju R Subramanian et al.
Iain D G Watson et al.
B-cell lymphoma 6 (BCL6) is a transcriptional repressor protein central to the development and maintenance of germinal centers (GCs) during the humoral immune response. BCL6 is often deregulated in diffuse large B-cell lymphoma (DLBCL), a t...
pH-induced structural switch of a parallel duplex to triplex-DNA at a BOLF1 gene segment of the human herpes virus 4 (HH4) genome [0.03%]
人疱疹病毒4（HHV-4）基因组中BOLF1基因片段的平行双链到三链DNA的pH诱导结构转换
Shikha Kaushik,Shrikant Kukreti
Shikha Kaushik
Conformational polymorphism exhibited by nucleic acids makes them potential tools in various fields of molecular biology, medicine, nanobiotechnology, and material science. The structural versatility associated with DNA and RNA forms the ba...
Strategic approaches to the discovery of biologically active indole derivatives: a comprehensive review [0.03%]
生物活性吲哚衍生物发现的战略方法：综述性文章
Gui-Ping Gao,Quan-Ke Li,Jin-Cheng Ma et al.
Gui-Ping Gao et al.
Indole, an aromatic heterocyclic compound formed by the fusion of a benzene ring with a pyrrole ring, is widely distributed in the secondary metabolites of plants, animals, and marine organisms. Owing to its unique physicochemical propertie...
Bio-responsive self-assembled nanoparticles of fatty acid prodrugs of sulfapyridine for the management of Rheumatoid arthritis [0.03%]
用于类风湿性关节炎管理的一种磺胺吡啶脂肪酸前药的生物响应型自组装纳米粒
Pooja Rani,Monica Gulati,Bhupinder Kapoor
Pooja Rani
Despite significant advancements in medical research, the treatment of rheumatoid arthritis (RA) is still challenging due to limitations associated with the conventional therapies, which include low tissue specificity, poor retention within...
QSAR-based drug discovery of 2-((4-Imino-3,4-dihydroquinazolin-2-yl)thio-substituted analogs targeting Mycobacterium tuberculosis [0.03%]
基于QSAR的药物发现：针对结核分支杆菌靶点的含硫取代类似物的研究
Carla Caroline Ribeiro de Mendonça,Walber Fernandes Ferreira Coutinho,Thiago Lourenco Dos Santos et al.
Carla Caroline Ribeiro de Mendonça et al.
Dihydroquinazolin-4(3H)-imines have emerged as a promising scaffold for developing novel antimycobacterial agents. Here, we integrated QSAR modeling, in vitro screening, molecular dynamics (MD), binding free-energy calculations, and in vivo...
AI-aided virtual screening and biological evaluation for discovering new potential poly (ADP-ribose) polymerase-1 (PARP-1) inhibitors [0.03%]
基于人工智能的虚拟筛选及生物活性评价发现新型聚腺苷二磷酸核糖聚合酶-1(PARP-1)抑制剂
Xiaofeng Chen,Enyuan Zhang,Pan Wang et al.
Xiaofeng Chen et al.
Poly (ADP-ribose) polymerase-1 (PARP-1) is a key DNA repair enzyme targeted in cancer therapy. We developed an AI-assisted virtual screening workflow combining RG-MPNN for shape-based screening and PIGNet for docking rescoring to identify n...
Targeting epithelial-mesenchymal transition and apoptosis: novel histone methyltransferase inhibitors for colon cancer suppression [0.03%]
靶向上皮间质转化和凋亡：用于结肠癌抑制的新型组蛋白甲基转移酶抑制剂
Hsueh-Yun Lee,Chia-Hsuan Chang,Yi-Ting Liu et al.
Hsueh-Yun Lee et al.
Colon cancer is one of the major causes of cancer-related death worldwide and is considered a consequence of the accumulation of genetic and epigenetic changes in normal cells. Among epigenetic modifications, the critical involvement of his...
Design, synthesis and biological evaluation of new ent-11α-hydroxy-15-oxo-kaur-16-en-19-oic-acid (5F) derivatives as potential antitumor agents [0.03%]
设计、合成及生物活性评价新的ent-11α-羟基-15-酮基-卡瑞-16-稀-19酸（5F）衍生物作为潜在的抗肿瘤剂
Chenliang Zhao,Yinxiao Du,Yixuan Xia et al.
Chenliang Zhao et al.
Ent-11α-hydroxy-15-oxo-kaur-16-en-19-oic-acid (5F) is a naturally occurring ent-kaurane diterpenoid isolated from the traditional Chinese herbal medicine Pteris semipinnata L., a fern plant known for its reported antitumor properties. In a...
Generation of enantiospecific monoclonal antibodies against (2R,6R)-hydroxynorketamine [0.03%]
针对(2R,6R)-羟基诺莰胺的单克隆抗体的手性特异性生成
Uriel Matthew Enriquez,Natalie M González Velázquez,Mohammad Mosharraf Hossain et al.
Uriel Matthew Enriquez et al.
Antibodies against small psychoactive molecules have been developed for applications ranging from substance detection and overdose protection to mechanistic understanding of the actions of complex substance mixtures. In this study, we descr...
Thiazolidinedione-based dual inhibitors of α-amylase and aldose reductase: Design, in vitro evaluation, and in vivo hypoglycemic activity [0.03%]
基于噻唑烷二酮的α-淀粉酶和醛糖还原酶双重抑制剂的设计、体外评价及降血糖活性研究
Mohammad M Al-Sanea,Mohamed R Elnagar,Ahmed A B Mohamed et al.
Mohammad M Al-Sanea et al.
This study reports the design, synthesis, and biological evaluation of thiazolidinedione (TZD) derivatives as dual inhibitors of α-amylase (α-AMY) and aldose reductase (AR) for potential use in the management of diabetes mellitus. Using a...