Discovery of novel coumarin-containing triazolo[1,5-a]pyrimidine derivatives as potent ABCB1 inhibitor for modulation of multidrug resistance [0.03%]
一类新型肉桂酰三唑并基嘧啶衍生物ABCB1抑制剂的发现及其逆转肿瘤多药耐药的作用研究
Nan Ye Hmone,Xuefei Tian,Dandan Zhou et al.
Nan Ye Hmone et al.
ABCB1-mediated drug efflux is a key determinant of multidrug resistance (MDR) in cancer. To overcome this mechanism, a series of thiol-substituted aminocoumarin-derived, coumarin-containing triazolo[1,5-a]pyrimidine derivatives (5a-5s) was ...
Reactive oxygen species (ROS) research in drug discovery and drug delivery: Can the medium Be a Trojan Horse disguised as something benign? [0.03%]
药物发现和给药中的活性氧（ROS）研究：媒介会是化身为无害之物的特洛伊木马吗？
Shubham Bansal,Binghe Wang
Shubham Bansal
In studying the roles of reactive oxygen species (ROS) in various biological processes, the availability of appropriate cell culture models is critical. Addition of H2O2 to cells is commonly used to simulate oxidative stress. In doing so, g...
Palladium-catalysed synthesis of small-molecule epigenetic inhibitors as anticancer therapeutics [0.03%]
钯催化合成小分子表观遗传抑制剂作为抗癌药物疗法
Ram Sharma,Mandeep Rana,Amandeep Thakur et al.
Ram Sharma et al.
Palladium-catalysed reactions have emerged as indispensable tools in medicinal chemistry, enabling the precise construction of C-C and C-N bonds across a wide spectrum of drug-like molecular frameworks. This manuscript comprehensively exami...
Design, synthesis and anti-breast cancer activity evaluation of 6,7-dihydro-5 H-pyrrolo[3,4- d]pyrimidine-based PARP1/ATR dual inhibitors [0.03%]
基于6,7-二氢-5H-吡咯并[3,4-D]嘧啶的PARP1 / ATR双靶点抑制剂的设计、合成及抗乳腺癌活性研究
Meng-Lan He,Zong-Hao Wang,Xia Yao et al.
Meng-Lan He et al.
PARP1 inhibitors are FDA-approved for BRCA1/2-mutated breast cancer but show limited efficacy in wild-type cancers and face resistance issues. To overcome these, we designed novel 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-based compounds inte...
Diethyl Phthalate (DEP) as a potential osteosarcoma risk factor: a multi-omics study integrating network Toxicology, single-cell RNA sequencing, and molecular docking [0.03%]
邻苯二甲酸二乙酯(DEP)作为潜在骨肉瘤风险因素的组学研究：整合网络毒理学、单细胞RNA测序和分子对接分析
Shangqi Yin,Wuzheng Liu,Chunxiao Gao et al.
Shangqi Yin et al.
Diethyl phthalate (DEP), a common plasticiser and endocrine disruptor, has been linked to cancer, but its role in osteosarcoma (OS) remains unclear. This study integrated network toxicology, transcriptomics, protein-protein interaction (PPI...
Integrating virtual screening and molecular dynamics simulations to identify emodin as a PYCR1 inhibitor modulating docetaxel sensitivity in prostate cancer [0.03%]
基于虚拟筛选和分子动力学模拟整合的新型PYCR1抑制剂白鲜皮素并探索其对前列腺癌耐药逆转作用及机制研究
Shuai Liu,Yongfeng Lao,Long Cheng et al.
Shuai Liu et al.
Docetaxel (DTX) resistance is the main cause of treatment failure in castration-resistant prostate cancer (CRPC). Pyrroline-5-carboxylic acid reductase 1 (PYCR1) is an enzyme involved in proline metabolism. It is highly expressed in various...
Design, synthesis and biological evaluation of donepezil-safinamide hybrids as dual AChE and MAO-B inhibitor for Alzheimer's disease treatment [0.03%]
设计、合成及生物评价-donepezil-safinamide衍生物作为治疗阿尔茨海默病的双AChE和MAO-B抑制剂
Wei Li,Yan Guo,Xiaoli Wang et al.
Wei Li et al.
Alzheimer's disease (AD) still lacks therapies that definitively halt its progression. Dual AChE/MAO-B inhibitors offer a promising strategy to address both symptoms and pathology. Here, we designed and synthesised a series of donepezil-saf...
Design, synthesis and biological evaluation of novel KRAS-G12D inhibitors [0.03%]
新型KRAS-G12D抑制剂的设计、合成及生物活性评价
Mohammad Hassan Baig,Yun Seong Jo,Sagar Dattatraya Nale et al.
Mohammad Hassan Baig et al.
KRAS-G12D mutations are common drivers of pancreatic and colorectal cancers, yet effective targeted therapies remain limited. This study describes the design, synthesis, and biological evaluation of two novel KRAS-G12D inhibitors, GD-2 and ...
Thymol carbamates bearing cyclic amines as potent and selective BuChE inhibitors alleviate memory impairments for Alzheimer's disease therapy [0.03%]
用于缓解阿尔茨海默病记忆障碍的苯甲醛甲胩类化合物可有效选择性地抑制乙酰胆碱酯酶
Chengyao Wu,Yulu Ding,Xiaodan Liu et al.
Chengyao Wu et al.
Thymol, an isomer of carvacrol, exhibits anti-Aβ activity. Thymol carbamates were designed, and their inhibition on cholinesterase (ChE) activity was assessed and analysed, among them, TC-4, TC-6, H4 and H5 bearing cyclic amines exhibited ...
Design and optimisation of meta-substituted bis(arylsulfonamido)benzene inhibitors through a molecular hybridisation strategy targeting the Keap1-Nrf2 protein-protein interaction [0.03%]
基于分子杂交策略通过优化设计靶向Keap1-Nrf2相互作用的meta-取代双芳基磺酰胺类化合物抑制剂的研究
Sumi Lee,Ahmed R Ali,Dhulfiqar Ali Abed et al.
Sumi Lee et al.
Nrf2 is recognised as an attractive therapeutic target for oxidative stress-related disorders through its regulation of antioxidant gene transcription. Direct inhibition of Keap1-Nrf2 protein-protein interaction represents a promising strat...