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Structure ligand

Table 10.4-2. Cases m ligand structure, the drug discovery process depending on knowledge of the receptor and... Table 10.4-2. Cases m ligand structure, the drug discovery process depending on knowledge of the receptor and...
The bonding in the mononuclear metal complexes is considered to involve the two nitrogen atoms of the ligand structure, giving the familiar... [Pg.128]

Effects of Metal and Ligand Structure on the Mechanism of Catalysis 149... [Pg.143]

Ahn et al. [20] reported the synthesis of homochiral bis(oxazolinyl)-biferrocene ligands (structure 11 in Scheme 7), which also have both planar and central chirality. With these complexes, 2-(phenyl)cyclopropane carboxy-lates were obtained in up to 99% ee and a trans/cis ratio of 88/12. [Pg.99]

Zhang et al. [49] prepared a chiral ruthenium complex coordinated by a pyridine-bis(imine) ligand (structure 43 in Scheme 21). [Pg.109]

Figure 13.3 Potential pharmacophore points can be generated with MOE s site detection algorithm. The white and red dots are the antomatically generated site points, and the ligand structure comes from the X-ray structure of the complex. See color plate. Figure 13.3 Potential pharmacophore points can be generated with MOE s site detection algorithm. The white and red dots are the antomatically generated site points, and the ligand structure comes from the X-ray structure of the complex. See color plate.
Historically, ligand structure-based design has been the most widely used approach to the design of target-directed chemical libraries. Methods that start from hits or leads are among the most diverse, ranging from 2D substructure search and similarity-based techniques to analysis of 3D pharmacophores and molecular interaction fields (Fig. 15.2). [Pg.355]

Figure 15.2 Historical progress of ligand structure-based approaches from substructure search to analysis of 3-dimensional molecular interaction fields. Figure 15.2 Historical progress of ligand structure-based approaches from substructure search to analysis of 3-dimensional molecular interaction fields.
In general, ligand structure-based methods remain indispensable in those cases when the structure of binding site of the target protein is unknown. [Pg.357]

Certain computational methodologies such as some approaches to quantitative structure-activity relationship (QSAR) studies use 3D ligand structures [37, 38]. These methods generally assume that a bioactive conformation has been estab-Hshed for a set of molecules and that these conformers can be ahgned in a maimer that reflects the relative orientation they would adopt in a binding site. It is thus... [Pg.196]

Post, C. B. Exchange-transferred NOE spectroscopy and bound ligand structure determination. Curr. Opin. Struct. Biol. 2003, 13, 581-588. [Pg.251]

In addition, Rowlands has involved chiral sulfoxide-containing ligands for the catalytic addition of McsSiCN to aldehydes. " The ligand structure was based on a phenolic oxazoline scaffold with introduction of the sulfur substituent via cysteine derivatives. The best enantioselectivities of up to 61% ee were obtained with the bulkiest tert-butyl substituted ligand (Scheme 10.42). The effect of the sulfoxide configuration was studied, showing that the use of... [Pg.328]


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See also in sourсe #XX -- [ Pg.175 ]

See also in sourсe #XX -- [ Pg.404 ]

See also in sourсe #XX -- [ Pg.404 ]




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1,1,4,7,7-Pentamethyldiethylenetriamine, ligand structure

1,2-Maleonitrile 1,2-dithiolate ligands ligand structures

1,4,7-Triazacyclononane ligand structure

1-Methylimidazole, ligand structure

1.10- Phenanthroline ligand structure

1.2- Dithiolenes ligand structure

1.3- Diaminopropane, ligand structure

2,2 -Bipyridine ligands basic structure

2,2 -Bipyrimidine, ligand structure

2,2 :6, 2"-Terpyridine, ligand structure

3 structure based ligand design

4,4 -Dimethyl-2,2 -bipyridine, ligand structure

Acetate, ligand structure

Acetylacetonate ligand anionic structure

Acetylacetonato ligands molecular structure

Alkynyl ligands structure

Allyl ligands resonance structures

Anionic structure ligands

Appendix ligand abbreviations, formulae, and structures

Approaches to Structure-Based Ligand Design

Aqueous conditions ligand structures

Backbone structure pyridine ligands

Bidentate ligand structures

Bidentate ligands, xanthate structures

Binding ligand structures, electrochemical

Bispidine ligands molecular structures

Bispidine ligands structural properties

Bridging ligands xanthate structures

Cannabinoid receptor ligands structures

Chelating ligands mixed ligand structures

Chelating ligands organotin structures

Chelating ligands xanthate structures

Chemokine receptors ligand structure

Chemokines ligand structure

Coordination complexes bridging ligand structures

Cryptate ligand structures

Cyclopentadienyl anion ligand structure

Dimethyl sulfoxide ligand structure

Dithiocarbamates mixed-ligand structures

Drug design structure, ligand-based models

Effect of ligand structure

Electronic Structure of Lanthanide Ions in a Ligand Field

Ethyl, ligand structure

Ethylenediamine, ligand structure

Ferrocene derivatives ligand structure

GabaA ligand structures

Glossary of Abbreviations and Ligand Structures

Guide to Structure-Based Ligand Optimization

Heteroleptic dithiolenes ligand structures

Homoleptic dithiolenes ligand structures

Hydride ligands structural features

Hydrotris borate ligand structure

Hydroxyethyl, ligand structure

INDEX ligand structures

Integration of Ligand-and Structure-based Design Concepts

Isomeric structures, bispidine ligands

Lanthanide-induced shifts ligands, structure

Ligand 3D structure

Ligand Linear Structure Formula

Ligand Properties on Product Structure and Reactivity

Ligand abbreviations, formulae, and structures

Ligand and Structural Variation in Ruthenium-Based Initiators

Ligand binding in protein crystal structures

Ligand binding structure-function relationships

Ligand field theory ruby structure

Ligand field theory structure

Ligand hyperfine structure

Ligand identification sequence-structure-function prediction

Ligand properties structural analysis

Ligand properties, structure, reactivity effects

Ligand structural complementarity

Ligand structural index

Ligand structure generation

Ligand structures CODH)

Ligand structures acetylenes

Ligand structures binucleating ligands

Ligand structures building block approach

Ligand structures characterization

Ligand structures chemistry

Ligand structures chirality

Ligand structures complexes

Ligand structures cyanide-bridged complexes

Ligand structures diazenes

Ligand structures dinitrogen complexes

Ligand structures electronic effects

Ligand structures function

Ligand structures hexadentate ligands

Ligand structures hydrogenase models

Ligand structures metal-sulfur interactions

Ligand structures model complexes

Ligand structures nickel complexes

Ligand structures nitrogenase complexes, FeMoco

Ligand structures nitrosyl complexes

Ligand structures pentadentate ligands

Ligand structures sulfur dioxide

Ligand structures systems

Ligand structures tetradentate ligands

Ligand structures tridentate ligands

Ligand structures tris complexes

Ligand transition-state structure

Ligand- and Structure-based Drug Design

Ligand-AChE complexes, structures

Ligand-based reduction structures

Ligand-receptor structures

Ligands -diop, structure

Ligands ligand structure

Ligands ligand structure

Ligands molecular structure

Ligands organolithium structure

Ligands structural formulae

Macrocyclic ligands structural effects

Macromolecule-ligand complexes structures/dynamics

Macropolycyclic ligands structural effects

Metal-to-ligand charge transfer structures

Metallo-dithiolenes ligand structure

Metal—ligand bonds structures

Mixed-ligand complexes square-planar structures

Mixed-ligand complexes structural variation

Mixed-ligand complexes, transition metal structural studies

Mixed-ligand structures, xanthate complexes

Molecular structure-based ligand design

Molecular structures endogenous ligand

Molybdenum complexes ligand structure

Monodentate ligands, transition metal structural studies

Monodentate ligands, xanthate structures

Mononuclear structures tridentate ligands

Nickel complexes extended ligand structures

Nickel complexes metal-sulfur ligand structures

Nickel mixed-ligand structures

Octahedral ligand structure

Oxazolines as ligands in asymmetric synthesis x-ray crystal structure

Pentamethylcyclopentadienyl anion, ligand structure

Phenylethyl, ligand structure

Phosphine ligands structural parameters

Polydentate ligands crystal structures

Porphyrin ligands, structures

Prostaglandin selective ligands and structure-activity relationhips

Prostaglandin selective ligands and structure-activity relationships

Prostanoid receptors selective ligands and structure-activity relationships

Pyrazolyl, ligand structure

Pyridines ligand structure

Quantitative structure-activity relationship ligands

Rapid Protein-Ligand Structure Determination

SH3 Structure and Ligand Binding

Steroid hormone receptors ligand structures

Structural Aspects of Ligand Recognition by Engineered Lipocalins

Structural Determinants of Ligand Binding and Receptor Activation by CC Chemokines

Structurally Related Ligands

Structure Changes Prior to Ligand Exchange

Structure ligand coordination

Structure of Compounds with 4e Ligands

Structure of Metal Complexes Containing Arenediazonium Ions as Ligands

Structure small flexible ligands

Structure-Activity Relationships in Modeling Nucleic Acid Ligand Interactions

Structure-Function Relationships for the Ligands

Structure-Function Relationships with the Ligand

Structure-activity relationship nucleic acid ligand interactions

Structure-activity relationships three-dimensional-ligand-based

Structure-activity relationships, opioid ligands

Structure-based De Novo Ligand Design

Structure-based computational models of ligand-protein binding dynamics and molecular docking

Structure-based ligand optimization

Structure-function relationship ligands

Structures of Allyl Ligands

Structures of ligands

Structures of some 7r-organometallic compounds containing allyl groups as ligands

Sulfur ligands binary structures

Sulfur ligands xanthate structures

Synthetic Organic Ligands Structure and Conformation

Terminal ligands circular structures

Terminal ligands oligonucleotide hybrid structures

Tetrabutylammonium, ligand structure

Tetraethylammonium, ligand structure

Tetrahydrofuran ligand structure

Thiolate ligands, sterically hindered structures

Thiophilic ligand structures

Three-dimensional ligand-based models structure-activity relationships

Transition metal complexes ligand electronic structure

Trimethylsilyl, ligand structure

Trinuclear structures tridentate ligands

Tris amine. ligand structure

Tris methane, ligand structure

Tungsten complexes ligand structure

Vinyl ligands structure

Virtual combinatorial library ligand structure-based design

Water-based reactions ligand structures

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