Results 241 to 250 of about 1,416,280 (277)
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Journal of Medicinal Chemistry, 2014
Covalent ligand-target interactions offer significant pharmacological advantages. However, off-target reactivity of the reactive groups, which usually have electrophilic properties, must be minimized, and the selectivity of irreversible inhibitors is a crucial requirement.
C. Jöst +4 more
semanticscholar +3 more sources
Covalent ligand-target interactions offer significant pharmacological advantages. However, off-target reactivity of the reactive groups, which usually have electrophilic properties, must be minimized, and the selectivity of irreversible inhibitors is a crucial requirement.
C. Jöst +4 more
semanticscholar +3 more sources
ChemBioChem, 2021
The identification of growth inhibitory compounds with the ability to selectively target the cellular oxygenation state may be of therapeutic interest.
Marie Cordon +4 more
semanticscholar +1 more source
The identification of growth inhibitory compounds with the ability to selectively target the cellular oxygenation state may be of therapeutic interest.
Marie Cordon +4 more
semanticscholar +1 more source
Covalent Fragment Inhibits RhoA Activation by Guanine Exchange Factors
ACS Chemical Neuroscience, 2023Ras homolog gene family member (RhoA) is a GTPase and a member of the RAS superfamily of GTPases. RhoA is a master regulator of the actin cytoskeleton. It inhibits axon growth preventing repair and recovery following spinal cord and traumatic brain injuries.
Muhammad S. Hussain +3 more
openaire +2 more sources
The nature of the polar covalent bond.
Journal of Chemical Physics, 2022Quantum chemical calculations using density functional theory are reported for the diatomic molecules LiF, BeO, and BN. The nature of the interatomic interactions is analyzed with the Energy Decomposition Analysis-Natural Orbitals of Chemical Valence ...
Lili Zhao, S. Pan, G. Frenking
semanticscholar +1 more source
Covalent Bond Fragmentation Suitable To Describe Solids in the Fragment Molecular Orbital Method
The Journal of Physical Chemistry A, 2008To improve the accuracy of the fragment molecular orbital method (FMO), we introduce a new fragmentation scheme based on using frozen orbitals to describe fractioned bonds. By applying this scheme to a set of polyalanine systems of up to 40 residues for the alpha-helix and beta-strand isomers, we established its accuracy, which is considerably improved
Fedorov, Dmitri G. +3 more
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Amine‐Tagged Fragmented Ligand Installation for Covalent Modification of MOF‐74
Angewandte Chemie, 2021AbstractMOF‐74 is one of the most explored metal–organic frameworks (MOFs), but its functionalization is limited to the dative post‐synthetic modification (PSM) of the monodentate solvent site. Owing to the nature of the organic ligand and framework structure of MOF‐74, the covalent PSM of MOF‐74 is very demanding. Herein, we report, for the first time,
Jaewoong Lim +7 more
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Discovery of 4,4'-Dipyridylsulfide Analogs as "Switchable Electrophiles" for Covalent Inhibition.
ACS Chemical Biology, 2021Electrophilic heterocycles offer attractive features as covalent fragments for inhibitor and probe development. A focused library of heterocycles for which protonation can enhance reactivity (called "switchable electrophiles") is screened for inhibition ...
Yeong-Chan Ahn +4 more
semanticscholar +1 more source
Studies on IgM Polymerization: Reassociation to Non‐covalently and Covalently Linked Fc5μ Fragments
Scandinavian Journal of Immunology, 1978Fc5μ fragments were purified from a trypsin digest of native IgM by gel filtration and isoelectric focusing. Polyacrylamide gel electrophoresis of Fc5μ fragments in sodium dodecyl sulphate disclosed a major and a minor band with molecules of 320,000 and 285,000 daltons, respectively. The μ chain fragments showed a molecular weight of 34,500.
E, Paus, T, Eskeland
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Journal of the American Chemical Society
Developing effective photocatalysts for the oxidation reaction is of great significance in chemical synthesis but is still challenging. Herein, linking photochromic triphenylamine with pyrene units by the in situ formed robust imidazole moieties, a ...
Tian-Xiang Luan +7 more
semanticscholar +1 more source
Developing effective photocatalysts for the oxidation reaction is of great significance in chemical synthesis but is still challenging. Herein, linking photochromic triphenylamine with pyrene units by the in situ formed robust imidazole moieties, a ...
Tian-Xiang Luan +7 more
semanticscholar +1 more source