Identification of novel potent peptide inhibitors targeting the polo-box domain of PLK1: structure-based pharmacophore modelling, virtual screening, molecular docking, molecular dynamics study and biological evaluation [0.03%]
基于结构的药效团建模、虚拟筛选、分子对接、分子动力学研究及生物评估相结合发现新颖有效的PLK1丝/苏氨酸蛋白激酶多肽抑制剂
Hong Zhou,Lixia Guan,Guoqiang Lin et al.
Hong Zhou et al.
Multiple myeloma, a hematological malignancy, shows PLK1 overexpression in cells correlates with poor prognosis, suggesting PLK1 as a potential therapeutic target. In this study, we discovered five peptides (PLs 1-5) targeting the polo box ...
Design, synthesis, and bioevaluation of pyrazole-containing tubulin polymerisation inhibitors based on conformational constraint strategy [0.03%]
基于构象限制策略的含吡唑类微管蛋白聚合抑制剂的设计、合成及生物评价研究
Zhongqiao Sun,Jiahao Wang,Fengwei Li et al.
Zhongqiao Sun et al.
Based on conformational preference of SMART analogues and conformational constraint strategy, two series of new tubulin polymerisation inhibitors (4a - 4k and 5a - 5h/6a - 6h) were designed via hydrogen bonding, steric effect (for 4a - 4k) ...
Discovery and characterization of novel hematopoietic prostaglandin D synthase inhibitors from traditional Chinese medicine: the bioactive potential of dihydroberberine in treatments of Duchenne muscular dystrophy and inflammation-related diseases [0.03%]
从传统中药中发现和表征新型血小板生成素d合酶抑制剂：DHBB在杜氏肌营养不良症和炎症相关疾病中的活性潜力
Cheng-Han Li,Min-Che Tung,Cheng-Kuan Tsai et al.
Cheng-Han Li et al.
Inflammation plays a central role in various diseases, necessitating effective anti-inflammatory agents. Prostaglandin D2 (PGD2), a key mediator synthesised by haematopoietic prostaglandin D synthase (H-PGDS), is linked to allergic and infl...
Advances in ERK1/2 inhibition: a medicinal chemistry perspective on structure and regulation [0.03%]
ERK1/2抑制剂研究进展——从药物化学角度探讨结构与调节机制的新进展
Vimlendu Kumar Sah,Ankit Kumar Singh,Adarsh Kumar et al.
Vimlendu Kumar Sah et al.
The mitogen-activated protein kinase (MAPK) pathway-also known as the RAS/RAF/MEK/ERK pathway-is a critical signalling cascade involved in regulating cell growth, proliferation, and survival. First discovered in the early 1980s, the pathway...
Biotin-mediated drug delivery: does the biotin transporter mediate uptake of biotin conjugates? [0.03%]
生物素介导的药物输送：生物素转运蛋白是否参与生物素结合物的摄入？
Ravi Tripathi,Xiaoxiao Yang,Dongning Liu et al.
Ravi Tripathi et al.
Sodium-dependent multivitamin transporter (SMVT) is a biotin transporter over-expressed in various types of cancer cells and is commonly studied for targeted drug delivery using biotin conjugates. However, such conjugates lack the carboxyl ...
Production and functional characteristics of a novel hirudin variant with better anticoagulant activities than bivalirudin [0.03%]
一种新型抗凝活性优于比伐卢定的水蛭素变体的产生及其功能特性分析
Peijuan Ge,Min Jin,Zimo Li et al.
Peijuan Ge et al.
Current antithrombotic therapies face dual constraints of bleeding complications and monitoring requirements. Although natural hirudin provides targeted thrombin inhibition, its clinical adoption is hindered by sourcing limitations. This st...
The structural basis of aldo-keto reductase 1C3 inhibition by 17α-picolyl and 17(E)-picolinylidene androstane derivatives [0.03%]
17α-和17（E）-嘌呤并嘧啶取代的雄甾烷衍生物对醛酮还原酶1C3的抑制作用的结构基础
Jovana J Plavša-Puž,Jiří Brynda,Jovana J Ajduković et al.
Jovana J Plavša-Puž et al.
Human aldo-keto reductase 1C3 (AKR1C3) is a steroid modifying enzyme involved in cancer progression. Here, A-ring modified 17α-picolyl and 17(E)-picolinylidene androstane derivatives are shown to inhibit AKR1C3 activity in vitro. None of t...
Design, synthesis, and evaluation of novel pinane-based thiazolidione derivatives with anti-glioblastoma activity [0.03%]
具有抗胶质母细胞瘤活性的新化合物的设计、合成及评价研究
Wei Shi,Min Hu,Jiale Han et al.
Wei Shi et al.
A series of pinane-based thiazolidione derivatives were synthesised, and their anti-proliferative effects were investigated by CCK-8 assay. All these compounds exhibited anti-proliferation activity against three glioblastoma cell lines (U87...
Green ultrasound‑assisted deep eutectic solvent extraction of flavonoid enzyme inhibitors from Blumea aromatica: process optimization, characterization, and mechanistic insights into α‑glucosidase and tyrosinase inhibition [0.03%]
绿色环保超声波辅助深共晶溶剂提取白花丹黄酮类酶抑制剂：工艺优化、表征及α-葡萄糖苷酶和酪氨酸酶抑制机理研究
Wei Dai,Liping Dai,Tao Su et al.
Wei Dai et al.
A green ultrasound-assisted deep eutectic solvent (UAE-DES) method was optimised for extracting flavonoid enzyme inhibitors from Blumea aromatica. Optimal conditions (choline chloride-1,4-butanediol 1:3 molar ratio, 43% water content, 50 mL...
The key enzyme PYCR1 in proline metabolism: a dual driver of cancer progression and fibrotic remodeling [0.03%]
脯氨酸代谢关键酶PYCR1：驱动癌症进展和纤维化重塑的双重作用
Peng Guo,Chenchun Wu,Tong Wang et al.
Peng Guo et al.
Pyrroline-5-Carboxylate Reductase 1 (PYCR1), a member of the PYCR family, is a key enzyme in the proline biosynthesis pathway. Notably, PYCR1 was originally identified via genetic disease research, linking its mutations to the occurrence of...