Structure-based identification of a non-covalent thioredoxin reductase inhibitor with proven ADMET suitability [0.03%]
基于结构的非共价型硫氧还蛋白还原酶抑制剂筛选及人体内药代动力学研究
Giuseppe Lamanna,Giuseppa Augello,Luisa Ronga et al.
Giuseppe Lamanna et al.
Thioredoxin reductase 1 (TrxR1), a selenoprotein enzyme crucial for redox homeostasis in mammals, has emerged as a promising target for anticancer therapy. In this study, we present a non-covalent TrxR1 inhibitor, identified through an inte...
Harnessing coumarin-thio(seleno)cyanate conjugates: potent In vivo antiproliferative agents targeting carbonic anhydrases [0.03%]
苦马豆素-噻(硒)腈酸共轭物：靶向碳酸酐酶的体内抗增殖剂
Silvia Alejandra Meza-Ireta,Laura L Romero-Hernández,Paloma Begines et al.
Silvia Alejandra Meza-Ireta et al.
We synthesised coumarin-based derivatives bearing thio- and selenocyanates to selectively inhibit tumour-associated carbonic anhydrases (CAs) IX and XII and to exert antiproliferative effects on tumour cells. Structural variations included ...
Identification of a novel and high-affinity cyclic peptide targeting Keap1 for inflammation treatment by a combined virtual screening strategy [0.03%]
结合虚拟筛选策略识别新颖高效的Keap1靶向环肽用于抗炎治疗
Shenglin Gao,Xiaokai Shi,Shudan Yang et al.
Shenglin Gao et al.
Inhibition of the Keap1-Nrf2 protein-protein interaction with cyclic peptides represents an attractive strategy to treat inflammation. However, the cyclic peptides for this inhibition are constrained by their low affinity. In this study, th...
Discovery of flavonoids as potent inhibitors of CYP1A to alleviate cellular inflammation and oxidative stress induced by benzo[a]pyrene-induced high CYP1A expression [0.03%]
黄酮类化合物作为CYP1A强效抑制剂的发现以缓解苯并[a]芘诱导的CYP1A高表达引起的细胞炎症和氧化应激
Xiao-Dong Li,Nan-Shan Ma,Ci-Ye He et al.
Xiao-Dong Li et al.
The environmental pollutant benzo[a]pyrene (BaP) can induce cytochrome P450 family 1 subfamily A (CYP1A) or generate metabolic products that disrupt the balance of oxidative stress, triggering inflammatory responses in the lungs and leading...
In vitro α-glucosidase inhibition, molecular dynamics and docking study of phenyl carbamoyl methoxy thiosemicarbazone derivatives as potential anti-diabetic agents [0.03%]
苯基卡波姆氧硫酮衍生物作为潜在的抗糖尿病剂的体外α-葡萄糖苷酶抑制，分子动力学和对接研究
Shirin Valadbeigi,Reza Saghiri,Zahra Kianmehr et al.
Shirin Valadbeigi et al.
ABSTRRACTAlpha-glucosidase inhibitors have been considered as the most effective agents in preventing hyperglycaemia and alternative targets for the treatment of Diabetes mellitus (DM). This study aimed to synthesise novel phenyl carbamoyl ...
Dimethoxybenzohomoadamantane-based soluble epoxide hydrolase inhibitors: in vivo efficacy in a murine model of chemotherapy-induced neuropathic pain [0.03%]
茋类可溶性环氧合酶抑制剂对化疗诱发的神经痛小鼠模型的行为效应
Sandra Codony,Beatrice Jora,Miriam Santos-Caballero et al.
Sandra Codony et al.
The soluble epoxide hydrolase (sEH) has recently emerged as a promising target for the treatment of several pain-related conditions. Herein, we report the design and synthesis of a peripherally restricted sEH inhibitor with high potency and...
Targeting MED8 enhances sorafenib sensitivity in hepatocellular carcinoma by disrupting epithelial-mesenchymal transition mechanisms [0.03%]
靶向MED8通过破坏上皮间质转化机制增强索拉非尼对肝细胞癌的敏感性
Ming Li,Xiaoxiang You,Tinghao Yuan et al.
Ming Li et al.
HCC is a highly lethal cancer characterised by significant sorafenib resistance, leading to poor patient outcomes. Recent studies have suggested that MED8 plays a role in enhancing tumour resistance to drugs, but its role in drug resistance...
Evaluation of antioxidant and anti-inflammatory potential and in silico tyrosinase binding interactions of edaravone derivatives [0.03%]
评估edaravone衍生物的抗氧化和抗炎潜力及其与酪氨酸酶的结合相互作用的计算研究
Naveen V Kulkarni,Anaswara S A,Induja S A et al.
Naveen V Kulkarni et al.
Two edaravone derivatives were synthesised and characterised by using several spectral and analytical techniques. The antioxidant activities of these organic compounds were analysed by using HPSA, DPPH and ABTS·+ assays. Anti-inflammatory ...
Discovery of new aurone derivatives as submicromolar CK2 inhibitors [0.03%]
新型 Aurones 衍生物作为次微摩尔CK2抑制剂的研究发现
Mykhailo V Mahdysiuk,Galyna P Volynets,Volodymyr G Bdzhola et al.
Mykhailo V Mahdysiuk et al.
Protein kinase CK2 is a promising therapeutic target, and this study explores 54 aurone derivatives as potential CK2 inhibitors. Activity was evaluated using luminescent and capillary electrophoresis assays, identifying 17 compounds with su...
Molecular screening of natural compounds targeting KRAS(G12C): a multi-parametric strategy against acute lymphoblastic leukemia [0.03%]
针对KRAS(G12C)的天然化合物分子筛选：急淋白血病的多参数策略
Juan Peng,Kun Zheng,Lan Ren et al.
Juan Peng et al.
Acute lymphoblastic leukaemia (ALL) is a highly aggressive hematological malignancy that necessitates safer, more effective therapies. This study applied a multi-parametric computational approach to identify KRAS (G12C) inhibitors from Afri...