Results 71 to 80 of about 342,372 (241)
Distance plus attention for binding affinity prediction
Protein-ligand binding affinity plays a pivotal role in drug development, particularly in identifying potential ligands for target disease-related proteins.
Newton, MA Hakim +3 more
core +1 more source
Drug binding sites on Nat1.8 sodium channels [PDF]
, 2008 The voltage-gated sodium channel, Nav 1.8, is known to play an important role in pain signalling. In this thesis, the functional properties and drug binding sites of wild type and mutant Nav 1.8 sodium channel currents were studied in mammalian sensory ...
Browne, Liam Edward
core
Versatile vector tools for efficient protein screening across multiple expression systems
FEBS Open Bio, EarlyView.A unified vector toolkit enables rapid protein expression screening across E. coli, insect, and mammalian cells. A single primer pair amplifies the target gene, which is inserted into any vector via a standardized interface. This streamlined workflow eliminates repeated cloning steps, accelerating the identification of optimal expression conditions for
Zhimin Zhu +5 more
wiley +1 more source
, 2021 The identification of drug target interactions is an important task in drug discovery. To model the interaction of drug and protein, most of the computational methods of drug target affinity prediction have been proposed the global interaction between ...
Haelee Bae
core
AffinityVAE: A multi-objective model for protein-ligand affinity prediction and drug design
, 2023 In the prediction of protein-ligand affinity, the traditional methods require a large amount of computing resources, and have certain limitations in predicting and simulating the structural changes.
Yu, X +6 more
core +1 more source
FEBS Open Bio, EarlyView.In a murine model of myocardial ischemia and reperfusion (MI/R), the CD36 azapeptide ligand MPE‐298 reduces cardiac injury and transiently lowers left ventricular long‐chain fatty acids (LCFAs) accumulation 3 h after reperfusion, accompanied by a decrease of oxidative stress and inflammation‐associated genes' expression in the heart and adipose tissue.
Jade Gauvin +12 more
wiley +1 more source
Development of novel ligands influencing neurotransmission in the central nervous system
, 2007 The development of novel drugs targeting GPCRs is of particular interest since modulation of subfamilies of this receptor class highly influences neurotransmission in the central nervous system.
Sasse, Britta Caroline
core
Synthesis and evaluation of glycomimetic antagonists for the lectins DC-SIGN and FimH [PDF]
, 2014 Lectins are carbohydrate-binding proteins that are widely spread in nature and crucially involved in a multitude of biological processes. This thesis addresses the design of glycomimetic antagonists for the human lectin DC-SIGN (chapter 2) and the ...
Mayer, Katharina
core +1 more source
FEBS Open Bio, EarlyView.UiO‐66(Zr) metal–organic frameworks are chemically stable, biocompatible, and highly tunable nanomaterials. Their modular structure enables controlled drug delivery, multimodal bioimaging, and light‐activated photodynamic therapy, supporting integrated diagnostic and therapeutic (theranostic) applications in cancer and biomedical research.
Veronika Huntošová +2 more
wiley +1 more source
Halogen Bond: Its Role beyond Drug–Target Binding Affinity for Drug Discovery and Development
, 2015 Halogen bond has attracted a great deal of attention in the past years for hit-to-lead-to-candidate optimization aiming at improving drug-target binding affinity. In general, heavy organohalogens (i.e., organochlorines, organobromines, and organoiodines)
Yunxiang Lu (1305909) +5 more
core +1 more source