Halogen atoms in the modern medicinal chemistry: hints for the drug design.
about
Developing irreversible inhibitors of the protein kinase cysteinomeSpecific CLK Inhibitors from a Novel Chemotype for Regulation of Alternative SplicingDetecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment ScreeningThe σ-hole phenomenon of halogen atoms forms the structural basis of the strong inhibitory potency of C5 halogen substituted glucopyranosyl nucleosides towards glycogen phosphorylase bStructural and Enzymatic Analyses Reveal the Binding Mode of a Novel Series of Francisella tularensis Enoyl Reductase (FabI) InhibitorsImproving the Stability and Catalyst Lifetime of the Halogenase RebH By Directed EvolutionIdentification of a novel polyfluorinated compound as a lead to inhibit the human enzymes aldose reductase and AKR1B10: structure determination of both ternary complexes and implications for drug designStructure and biocatalytic scope of thermophilic flavin-dependent halogenase and flavin reductase enzymesPost-acquisition filtering of salt cluster artefacts for LC-MS based human metabolomic studiesThe Halogen BondAn antitubulin agent BCFMT inhibits proliferation of cancer cells and induces cell death by inhibiting microtubule dynamicsHalogenation generates effective modulators of amyloid-Beta aggregation and neurotoxicity.A Protein Data Bank survey reveals shortening of intermolecular hydrogen bonds in ligand-protein complexes when a halogenated ligand is an H-bond donorA modified HSP70 inhibitor shows broad activity as an anticancer agent.Computational redesign of bacterial biotin carboxylase inhibitors using structure-based virtual screening of combinatorial libraries.Regioselective arene halogenation using the FAD-dependent halogenase RebH.Directed evolution of RebH for site-selective halogenation of large biologically active molecules.Directed Evolution of RebH for Catalyst-Controlled Halogenation of Indole C-H BondsCytotoxic activity and apoptosis-inducing potential of di-spiropyrrolidino and di-spiropyrrolizidino oxindole andrographolide derivatives.Metabolism-directed structure optimization of benzimidazole-based Francisella tularensis enoyl-reductase (FabI) inhibitors.Halogen-enriched fragment libraries as chemical probes for harnessing halogen bonding in fragment-based lead discovery.Substituted Bis-THF Protease Inhibitors with Improved Potency against Highly Resistant Mature HIV-1 Protease PR20Fluoride-containing podophyllum derivatives exhibit antitumor activities through enhancing mitochondrial apoptosis pathway by increasing the expression of caspase-9 in HeLa cells.Treatment of Halogen Bonding in the OPLS-AA Force Field; Application to Potent Anti-HIV Agents.Evaluating thermodynamic integration performance of the new amber molecular dynamics package and assess potential halogen bonds of enoyl-ACP reductase (FabI) benzimidazole inhibitors.The Important Role of Halogen Bond in Substrate Selectivity of Enzymatic Catalysis.Force Field Model of Periodic Trends in Biomolecular Halogen Bonds.Halogen bonding for rational drug design and new drug discovery.Rapid, one-pot synthesis of β-siloxy-α-haloaldehydes.Stereoselective Halogenation in Natural Product Synthesis.Comparative mass spectrometry-based metabolomics strategies for the investigation of microbial secondary metabolites.Functionalized ferrocenes: The role of the para substituent on the phenoxy pendant group.Plugging the explicit σ-holes in molecular docking.A quantum mechanics-based halogen bonding scoring function for protein-ligand interactions.Evaluation of naphthoquinones identified the acetylated isolapachol as a potent and selective antiplasmodium agent.Halogenated pentamethine cyanine dyes exhibiting high fidelity for G-quadruplex DNA.β-Siloxy-α-haloketones through highly diastereoselective single and double mukaiyama aldol reactions.Exploration of cyanine compounds as selective inhibitors of protein arginine methyltransferases: synthesis and biological evaluation.Modulation of the Interaction between a Peptide Ligand and a G Protein-Coupled Receptor by Halogen AtomsParametrization of halogen bonds in the CHARMM general force field: Improved treatment of ligand-protein interactions.
P2860
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P2860
Halogen atoms in the modern medicinal chemistry: hints for the drug design.
description
2010 nî lūn-bûn
@nan
2010 թուականի Մարտին հրատարակուած գիտական յօդուած
@hyw
2010 թվականի մարտին հրատարակված գիտական հոդված
@hy
2010年の論文
@ja
2010年論文
@yue
2010年論文
@zh-hant
2010年論文
@zh-hk
2010年論文
@zh-mo
2010年論文
@zh-tw
2010年论文
@wuu
name
Halogen atoms in the modern medicinal chemistry: hints for the drug design.
@ast
Halogen atoms in the modern medicinal chemistry: hints for the drug design.
@en
Halogen atoms in the modern medicinal chemistry: hints for the drug design.
@nl
type
label
Halogen atoms in the modern medicinal chemistry: hints for the drug design.
@ast
Halogen atoms in the modern medicinal chemistry: hints for the drug design.
@en
Halogen atoms in the modern medicinal chemistry: hints for the drug design.
@nl
prefLabel
Halogen atoms in the modern medicinal chemistry: hints for the drug design.
@ast
Halogen atoms in the modern medicinal chemistry: hints for the drug design.
@en
Halogen atoms in the modern medicinal chemistry: hints for the drug design.
@nl
P50
P1433
P1476
Halogen atoms in the modern medicinal chemistry: hints for the drug design
@en
P2093
Ana Cristina Lima Leite
Suellen Melo T Cavalcanti
P304
P356
10.2174/138945010790711996
P577
2010-03-01T00:00:00Z