prodrug, wherein the protein-binding prodrug comprises a protein-binding group, a second drug, and a linker that can be cleaved hydrolytically, enzymatically, or in a pH-dependent manner in the body, as well as to a kit and a pharmaceutical composition comprising said composition or combination...
体积排除先验 (excluded-volume):通过每个protein节点都会跟所有的drug节点有个attention(个人感觉这个有点扯了,硬扯故事了) 分成了两个阶段: 在第一阶段,将整个蛋白质分割成多个局部功能区,并预测它们与配体的相互作用,利用设计的三角认知架构创建蛋白质-配体相互作用能量图。 在第二阶段,我们对复合体的构象进行优先...
bindingin plasma. However, protein binding ofxenobioticsis not limited to maternal and fetal plasma but also occurs in other maternal, placental, and fetal tissues.Placental proteinbinding may hereby act as a reservoir to diffuse at a later stage either to the fetus or back to the maternal ...
As another example, the protein binding of short-acting narcotic analgesic alfentanil is affected by disease. This drug is mainly bound to AGP, the concentration of which can be significantly increased in patients with renal failure, myocardial infarction, or rheumatoid arthritis and also in intensive...
several novel methods for drug-protein binding studies, which include chromatography, capillary electrophoresis, mass spectrometry, nuclear magnetic resonance, cloud-point extraction and microdialysis as well as those of the traditional approaches such as equilibrium dialysis and ultrafiltration are reviewed. ...
human heat shock protein 90, to explore the contribution of protein dynamics to the binding thermodynamics and kinetics of drug-like compounds. We observe that their binding properties depend on whether the protein has a loop or a helical conformation in the binding site of the ligand-bound state...
LRP was also shown to be a heparin-binding protein. These findings indicate that heparin has a potential role in the clinic as a drug transporter modulator to reduce multidrug resistance in cancer patients. 展开 关键词: drug transport proteins heparin multidrug resistance (MDR) breast cancer ...
The drug-binding properties of human alpha-foetoprotein (alpha FP) were investigated by a fluorescence-spectral method. Human alpha FP was shown to bind to albumin's site I marker (warfarin, phenylbutazone), site II marker (L-tryptophan), but not site III marker (cholic acid, digoxin). ...
PPB-Affinity: Protein-Protein Binding Affinity dataset for AI-based protein drug discovery Huaqing Liu Peiyi Chen Guoxin Fan ResearchOpen Access03 Dec 2024Scientific Data Volume: 11, P: 1316 Discovery of a molecular glue for EGFR degradation ...
1) drug-protein binding 药物-蛋白结合1. Research on drug-protein binding is indispensable content in the study of early stage clinical pharmacokinetics of any new drugs. 一方面,药物的蛋白结合作用对其药理活性和药代动力学都有深刻的影响,因此深入研究药物-蛋白结合作用的分子基础具有重大的理论和实践意义...