Concept
Ligand (biologie)
Publications associées (451)
Antibodies expand the scope of angiotensin receptor pharmacology
Patrick Daniel Barth, Shuhao Zhang
G-protein-coupled receptors (GPCRs) are key regulators of human physiology and are the targets of many small-molecule research compounds and therapeutic drugs. While most of these ligands bind to their target GPCR with high affinity, selectivity is often l ...
2024From Sequence to Dynamics to Function: Computational Design of Allostery and Ligand Selectivity in G-Protein Coupled Receptors
The phenomenon of allostery, a general property in proteins that has been heralded as "the second secret of life" remains elusive to our understanding and even more challenging to incorporate into protein design. One example of allosteric proteins with gre ...
EPFL2024Ru(II)-Arene Complexes of Curcumin and Bisdesmethoxycurcumin Metabolites
Paul Joseph Dyson, Farzaneh Fadaei Tirani, Mouna Hadiji
Curcuminoids and their complexes continue to attract attention in medicinal chemistry, but little attention has been given to their metabolic derivatives. Here, the first examples of (arene)Ru(II) complexes with curcuminoid metabolites, tetrahydrocurcumin ...
Amer Chemical Soc2024Orientational Self-Sorting in Octahedral Palladium Cages: Scope and Limitations of the “cis Rule”
Kay Severin, Farzaneh Fadaei Tirani, Damien Wen Chen, Jean Charles Edouard de Montmollin, Atena-Bianca Solea
Octahedral coordination cages of the general formula Pd6L1212 were obtained by combining Pd(CH3CN)42 with heteroditopic N-donor ligands. Four different ligands were employed. These ligands have 3-pyridyl donor groups at one end and 4-pyridyl, ...
2024Aptamer Renaissance for Neurochemical Biosensing
Unraveling the complexities of brain function, which is crucial for advancing human health, remains a grand challenge. This endeavor demands precise monitoring of small molecules such as neurotransmitters, the chemical messengers in the brain. In this Pers ...
2024Tuning Pore Size in Graphene in the Angstrom Regime for Highly Selective Ion-Ion Separation
Kumar Varoon Agrawal, Kuang-Jung Hsu, Kangning Zhao, Luis Francisco Villalobos Vazquez de la Parra, Shaoxian Li, Heng-Yu Chi, Wan-Chi Lee, Yuyang Zhang
Zero-dimensional pores spanning only a few angstroms in size in two-dimensional materials such as graphene are some of the most promising systems for designing ion-ion selective membranes. However, the key challenge in the field is that so far a crack-free ...
Washington2024Steric and Electronic Effects Responsible for N,O- or N,N-Chelating Coordination of Pyrazolones Containing a Pyridine Ring in Ruthenium Arene Systems
Paul Joseph Dyson, Farzaneh Fadaei Tirani, Mouna Hadiji
Structural and electronic factors are crucial to rationalizethedifferent N,O or N,N chelating coordination of pyrazolones containinga pyridine ring. The reactivity of proligand 3-phenyl-1-(pyridin-2-yl)-5-pyrazolone(HLpy,ph) with the (arene)Ru(II) fragment ...
AMER CHEMICAL SOC2023Metal-Free Molecular Catalysts for the Oxygen Reduction Reaction: Electron Affinity as an Activity Descriptor
Juliette Veronique Schleicher, Ganna Gryn'ova
Heteroatom-doped polyaromatic hydrocarbons (or nanographenes) are promising molecular electrocatalysts for the oxygen reduction reaction (ORR). Here, we use density functional theory to investigate the first step of the ORR pathway (chemisorption) for a se ...
AMER CHEMICAL SOC2023Quantifying single-cell diacylglycerol signaling kinetics after uncaging
Milena Maria Schuhmacher, Pavel Barahtjan
Studying the role of molecularly distinct lipid species in cell signaling remains challenging due to a scarcity of methods for performing quantitative lipid biochemistry in living cells. We have recently used lipid uncaging to quantify lipid -pro-tein affi ...
Cambridge2023Implementing Multi-Electron Transfer Strategies in Uranium Chemistry
In the last decades, the activation of small molecules has attracted increasing attention for their use as cheap and abundant feedstock. Low-oxidation state uranium complexes have displayed high reactivity towards small molecules thanks to their unique pro ...
EPFL2023