Competitive association binding kinetic assays: a new tool to detect two different binding orientations of a ligand to its target protein under distinct conditions?
Sign Up to like & getrecommendations! Published in 2017 at "Naunyn-Schmiedeberg's Archives of Pharmacology"
DOI: 10.1007/s00210-017-1362-7
Abstract: Within the last years, for several ligands, binding to G protein-coupled receptors or other target proteins, a binding of the ligand in two different orientations is described. One appropriate experimental technique to detect two different… read more here.
Keywords: protein; detect two; binding orientations; distinct conditions ... See more keywords
Targeting different binding sites in the CFTR structures allows to synergistically potentiate channel activity.
Sign Up to like & getrecommendations! Published in 2020 at "European journal of medicinal chemistry"
DOI: 10.1016/j.ejmech.2020.112116
Abstract: Recent evidence shows that combination of correctors and potentiators, such as the drug ivacaftor (VX-770), can significantly restore the functional expression of mutated Cystic Fibrosis Transmembrane conductance Regulator (CFTR), an anion channel which is mutated… read more here.
Keywords: targeting different; cftr structures; channel; binding sites ... See more keywords
Crystallography and QM/MM Simulations Identify Preferential Binding of Hydrolyzed Carbapenem and Penem Antibiotics to the L1 Metallo-β-Lactamase in the Imine Form.
Sign Up to like & getrecommendations! Published in 2021 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.1c00663
Abstract: Widespread bacterial resistance to carbapenem antibiotics is an increasing global health concern. Resistance has emerged due to carbapenem-hydrolyzing enzymes, including metallo-β-lactamases (MβLs), but despite their prevalence and clinical importance, MβL mechanisms are still not fully… read more here.
Keywords: hydrolyzed carbapenem; crystallography; penem; different binding ... See more keywords
Host-Guest Complexation of Perethylated Pillar[6]arene toward Ferrocene Derivatives Both in Solution and Solid State: Different Binding Modes Induced by Minor Structural Changes of Guests.
Sign Up to like & getrecommendations! Published in 2020 at "Organic letters"
DOI: 10.1021/acs.orglett.0c00152
Abstract: Herein, novel host-guest properties between perethylated pillar[6]arene and four kinds of ferrocene derivatives were fully investigated. NMR titrations, 2D NOESY NMR spectroscopy, and ESI-MS are used to confirm that they indeed formed stable inclusion complexes.… read more here.
Keywords: perethylated pillar; binding modes; ferrocene derivatives; host guest ... See more keywords