Evidence for C-Cl/C-Br...pi interactions as an important contribution to protein-ligand binding affinity.
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Crystal structure of iodotyrosine deiodinase, a novel flavoprotein responsible for iodide salvage in thyroid glandsMolecular recognition at the active site of factor Xa: cation-π interactions, stacking on planar peptide surfaces, and replacement of structural waterFragment deconstruction of small, potent factor Xa inhibitors: exploring the superadditivity energetics of fragment linking in protein-ligand complexesBeyond heparinization: design of highly potent thrombin inhibitors suitable for surface couplingThe Halogen BondInhibition of SREBP transcriptional activity by a boron-containing compound improves lipid homeostasis in diet-induced obesityContribution of explicit solvent effects to the binding affinity of small-molecule inhibitors in blood coagulation factor serine proteases.Autocatalytic cathodic dehalogenation triggered by dissociative electron transfer through a C-H···O hydrogen bond.Halogen-enriched fragment libraries as chemical probes for harnessing halogen bonding in fragment-based lead discovery.Structural and biophysical characterization of human cytochromes P450 2B6 and 2A6 bound to volatile hydrocarbons: analysis and comparison.Mapping the binding of GluN2B-selective N-methyl-D-aspartate receptor negative allosteric modulators.Structure-Function Analysis of Mammalian CYP2B Enzymes Using 7-Substituted Coumarin Derivatives as Probes: Utility of Crystal Structures and Molecular Modeling in Understanding Xenobiotic MetabolismThe Important Role of Halogen Bond in Substrate Selectivity of Enzymatic Catalysis.Force Field Model of Periodic Trends in Biomolecular Halogen Bonds.A mammalian reductive deiodinase has broad power to dehalogenate chlorinated and brominated substratesCrystal structure of an HgII coordination polymer with an unsymmetrical dipyridyl ligand: catena-poly[[[di-chlorido-mercury(II)]-μ-N-(pyridin-4-ylmeth-yl)pyridin-3-amine-κ2N:N'] chloro-form hemisolvate].A medicinal chemist's guide to molecular interactionsHalogen bonding in halocarbon-protein complexes: a structural survey.Halogen bonding for rational drug design and new drug discovery.Halogen bonding (X-bonding): a biological perspective.Molecular recognition in chemical and biological systems.A Pronounced Halogen Effect on the Organogelation Properties of Peripherally Halogen Functionalized Poly(benzyl ether) Dendrons.Identification of the first synthetic inhibitors of the type II transmembrane serine protease TMPRSS2 suitable for inhibition of influenza virus activation.Halogen and Hydrogen Bonding Benzothiophene Diol Derivatives: A Study Using ab initio Calculations and X-Ray Crystal Structure Measurements.σ-Hole···π and lone pair···π interactions in benzylic halides.A quantum mechanics-based halogen bonding scoring function for protein-ligand interactions.π-stacking and C-X...D (X = H, NO2; D = O, π) interactions in the crystal network of both C-H...N and π-stacked dimers of 1,2-bis(4-bromophenyl)-1H-benzimidazole and 2-(4-bromophenyl)-1-(4-nitrophenyl)-1H-benzimidazole.Halogen-π Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity.Molecular basis of selective resistance of the bumblebee BiNav1 sodium channel to tau-fluvalinate.A one-dimensional HgII coordination polymer based on bis-(pyridin-3-ylmeth-yl)sulfane.SAR Studies of Indole-5-propanoic Acid Derivatives To Develop Novel GPR40 Agonists.Probing halogen-halogen interactions in solution.Extending Halogen-based Medicinal Chemistry to Proteins: IODO-INSULIN AS A CASE STUDY.The Surprising Importance of Peptide Bond Contacts in Drug-Protein Interactions.A π-Halogen Bond of Dibenzofuranones with the Gatekeeper Phe113 in Human Protein Kinase CK2 Leads to Potent Tight Binding Inhibitors.C-X···π halogen and C-H···π hydrogen bonding: interactions of CF3X (X = Cl, Br, I or H) with ethene and propene.Highly enantioselective synthesis of 1,2,3-substituted cyclopropanes by using α-Iodo- and α-chloromethylzinc carbenoids.Could the "Janus-like" properties of the halobenzene CX bond (X=Cl, Br) be leveraged to enhance molecular recognition?The crystal design of polar one-dimensional hydrogen-bonded copper coordination complexes.Synthesis, Biological Evaluation and Molecular Modelling of 2'-Hydroxychalcones as Acetylcholinesterase Inhibitors.
P2860
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P2860
Evidence for C-Cl/C-Br...pi interactions as an important contribution to protein-ligand binding affinity.
description
2009 nî lūn-bûn
@nan
2009年の論文
@ja
2009年学术文章
@wuu
2009年学术文章
@zh
2009年学术文章
@zh-cn
2009年学术文章
@zh-hans
2009年学术文章
@zh-my
2009年学术文章
@zh-sg
2009年學術文章
@yue
2009年學術文章
@zh-hant
name
Evidence for C-Cl/C-Br...pi in ...... otein-ligand binding affinity.
@en
Evidence for C-Cl/C-Br...pi in ...... otein-ligand binding affinity.
@nl
type
label
Evidence for C-Cl/C-Br...pi in ...... otein-ligand binding affinity.
@en
Evidence for C-Cl/C-Br...pi in ...... otein-ligand binding affinity.
@nl
prefLabel
Evidence for C-Cl/C-Br...pi in ...... otein-ligand binding affinity.
@en
Evidence for C-Cl/C-Br...pi in ...... otein-ligand binding affinity.
@nl
P2093
P356
P1476
Evidence for C-Cl/C-Br...pi in ...... rotein-ligand binding affinity
@en
P2093
Armin Bauer
David W Will
Hans Matter
Kurt Ritter
Matthias Urmann
Michael Wagner
Stefan Güssregen
Volkmar Wehner
P304
P356
10.1002/ANIE.200806219
P407
P577
2009-01-01T00:00:00Z