Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Ligand-based

Distinguishing Molecules of Different Biol< ical Activities and Finding a New Lead Structure - An Example of Ligand-Based Drug Design... [Pg.612]

In order to enhance our ligand-based query hypothesis, the structural fragments of the initial query were generalized but linked with the same distance constraints. A search of this final query (see Fig. 4-10) in the same list yielded 690 hits and a statistically significant correlation of the presence of this enantiophore and the enan-tioselectivity of the compounds was found (94 % of those are well resolved on Chi-ralcel OD). Note that out of the 4203 compounds of the Chiralcel OD domain search, a 2D search found 1900 structures that contain the substructural features of the generalized query. [Pg.111]

Fig. 4-11. Examples of structure fitting the generalized Chiralcel OD ligand-based query. Fig. 4-11. Examples of structure fitting the generalized Chiralcel OD ligand-based query.
The binucleating bis (amidinate) ligands based on the 9,9-dimethylxanthene backbone have also been used to prepare new dititanium(lV) complexes of the general formula [bis(amidinate)]Ti2Cp2R4 (R = CH3, CD3). Reaction of... [Pg.321]

If the Fe-Ni center is not redox active, at least during catalysis, then the process must be ligand-based (92). Maroney and co-workers have argued that the paramagnetic Ni-C state could be generated by the interaction of a thyil radical with a Ni(II) ion. This species is isoelectronic with a thiolate-bound Ni(III) according to the reaction... [Pg.300]

In this chapter, we briefly review various aspects of the chemical information systems used by the chemist for literature and patent searches the field of computer-aided drug design technologies, cheminformatics, as well as other applications. We place special emphases on the ligand-based techniques and only briefly mention the structure-based design technologies. [Pg.302]

Schneider G, Nettekoven M. Ligand-based combinatorial design of selective purinergic receptor (A2A) antagonists using self-organizing maps. J Comb Chem 2003 5 233-7. [Pg.372]


See other pages where Ligand-based is mentioned: [Pg.597]    [Pg.607]    [Pg.274]    [Pg.206]    [Pg.352]    [Pg.352]    [Pg.354]    [Pg.354]    [Pg.359]    [Pg.361]    [Pg.364]    [Pg.365]    [Pg.938]    [Pg.130]    [Pg.234]    [Pg.111]    [Pg.221]    [Pg.88]    [Pg.125]    [Pg.300]    [Pg.395]    [Pg.484]    [Pg.142]    [Pg.96]    [Pg.307]    [Pg.316]    [Pg.316]    [Pg.356]    [Pg.357]    [Pg.360]    [Pg.369]    [Pg.371]    [Pg.383]    [Pg.392]    [Pg.412]    [Pg.413]    [Pg.418]    [Pg.449]    [Pg.455]    [Pg.185]   
See also in sourсe #XX -- [ Pg.356 , Pg.359 , Pg.412 ]

See also in sourсe #XX -- [ Pg.41 , Pg.175 , Pg.178 , Pg.191 , Pg.208 , Pg.277 , Pg.282 ]




SEARCH



3 structure based ligand design

Amide-based ligand, heterobimetallic

Approaches to Structure-Based Ligand Design

Arene- and Cavitand-Based Caging Ligands

Atom transfer radical addition nitrogen based ligands

Azaferrocene-based ligand

Base and Nucleophile Ligand Transfers

Based Chiral Ligands in C-F Bond Forming Reactions

Bases as ligands

Bidentate Schiff-base ligands

Bidentate pyrazolyl-based ligands

Biosensors affinity ligand-based

Bipyridine-based ligands

Bipyridyl-based ligands

Bronsted base ligands

Chiral Ferrocene-based Bisphosphane Ligands

Chiral Schiff-base salen ligands

Chiral ferrocene based phosphine phosphoramidite ligands

Chiral ligand phosphorus-based

Comparative ligand-based

Conjugation Schiff-base ligands

D Ligand-Based Virtual Screening

Databases ligand-based screening

Design ligand-based

Dipeptide-based ligand

Dipicolinic-acid-based ligands

Dissociating phosphorus-based ligand

Dithiocarbamate complexes nitrogen-based ligands

Diversity-based ligand libraries

Drug design structure, ligand-based models

Drug ligand-based

Effects of bases, ligands, and additives

Electrochemiluminescence-Based Ligand-Binding Assays

Enantioselective Hydrogenation of Alkenes with Ferrocene-Based Ligands

Enantioselective hydrogenation ferrocene-based ligands

Europium Schiff-base ligands

Ferrocene based diphosphine ligands

Ferrocene based ligands

Ferrocene-based bisphosphane ligands

Ferrocene-based chiral ligands

First-Generation Ruthenium Indenylidene Catalysts Bearing a Bidentate Schiff Base Ligand

Fragment-based de novo ligand design

Fragment-based ligand design

Fragment-based ligand discovery

Fragment-based ligand docking

Fragment-based ligandability screens

Guide to Structure-Based Ligand Optimization

Histidine ligands acid-base function

Homogeneous ligands, iron-based

Hybridization based ligand binding assays

Immobilized Schiff-base ligand

Integration of Ligand-and Structure-based Design Concepts

Iridium catalysts based on heterobidentate ligands

Lanthanide complexes Schiff-base ligands

Lanthanide complexes conjugated Schiff-base ligands

Lanthanide complexes flexible Schiff-base ligands

Lewis base ligands

Library ligand-based

Ligand Based Virtual Screening (LBVS)

Ligand and Structural Variation in Ruthenium-Based Initiators

Ligand binding receptor-based

Ligand design fragment-based approaches

Ligand imidazole-based

Ligand knowledge bases

Ligand libraries pharmacophore-based

Ligand or Base Effects

Ligand- and Structure-based Drug Design

Ligand-based Combinatorial Design The RADDAR Approach

Ligand-based Lead Finding

Ligand-based NMR

Ligand-based NMR screens

Ligand-based NMR techniques

Ligand-based Pharmacophore Modeling

Ligand-based Targeting of Disease From Antibodies to Small Organic (Synthetic) Ligands

Ligand-based Template Design for GPCR-targeted Libraries

Ligand-based approach

Ligand-based approach predicting functional sites

Ligand-based drug design

Ligand-based emission

Ligand-based focused design

Ligand-based in silico screening

Ligand-based methods

Ligand-based pharmacophores

Ligand-based radicals

Ligand-based reduction

Ligand-based reduction processes

Ligand-based reduction structures

Ligand-based screening

Ligand-based screening techniques

Ligand-based targeting

Ligand-based topological pharmacophore

Ligand-based virtual screening

Ligand-based virtual screening applications

Ligand-based virtual screening performance evaluations

Ligands BINOL-based phosphonite

Ligands BINOL-based phosphoramidit

Ligands as Lewis base

Ligands base metal recovery

Ligands bases

Ligands chiral Schiff base

Ligands chiral amino alcohol-based

Ligands diimine-based

Ligands nitrogen-based

Ligands porphyrin-based

Ligation of zeolite exchanged transition ions with Schiff base-type ligands

Luminescence Schiff-base ligands

Luminescence ligand-based

Macrocycles asymmetric 60°-based ligands

Macrocyclic complexes with ligands based on 1,3-dicarbonyl compounds and 1,2- or 1,3-diamines

Macrocyclic ligands Schiff base

Manganese Complexes for Alkene Oxidation Based on Pyridyl Ligands

Metal-ligand interaction, anion sensing based

Metal-ligand-based capsules

Model ligand-based

Molecular modeling pharmacophore-based ligand

Molecular structure-based ligand design

Molybdenum and Iron Complexes Based on a Trithiolate Ligand

Monodentate phosphorus-based ligand

Multi-nitrogen-based ligand

New Chiral Ligands Based on Substituted Heterometallocenes

Nitrogen Schiff base ligands

Nitrogen based ligands for

Nitrogen based ligands, copper

Nitrogen based ligands, copper addition

Nitrogen compounds imine-based ligands

Nitrogen-Based Delocalized and Heterocyclic Ligands

Nuclear Magnetic Resonance ligand-based design

Nuclear magnetic resonance ligand-based screening

Oligothiophenes with phosphorus-based ligands

Organocobalt(m) complexes with Schiff base ligands

Oxazoline based ligands

Oxazoline-based chiral ligands

Oxidation Schiff base-type ligands

Oxidation indole-based ligands

Palladium pyridine-based ligands

Pentadentate Schiff-base ligand

Peptide-based amino-alcohol ligands

Peptide-based phosphine ligand

Pharmacophore ligand-based

Phenolate Based Ligands

Phenylalanine-based ligands

Phosphine-Based Ligands

Phosphine-based copper ligands

Phosphite ligands sugar-based

Phosphorus-based ligands

Photoinduced relaxation processes in composites based on semiconductor nanocrystals CdSe and organic ligands

Polymers Based on Schiff-base Ligands

Probabilistic Ligand-based Virtual Screening Methods

Pseudo-bases, pyridine ligands

Pyrazolate-based chelate ligands

Pyrazole-based ligands

Pyridyl-based ligands

Quantitative ligand-based

Ruthenium bidentate Schiff base ligand

Schiff base ligand, dipeptide ligands

Schiff base ligands

Schiff base ligands 2:1 condensation

Schiff base ligands hydrogenation

Schiff base ligands hydrolysis

Schiff base macrocyclic ligands, copper

Schiff base-type ligands

Schiff base-type ligands multidentate

Schiff bases acyclic polydentate ligands

Schiff-Base Imine Encapsulating Ligands and Their Polysaturated Cage Derivatives

Schiff-base ligands cleavage

Silicon-based ligands for transition metal

Silicon-based ligands for transition metal coordination

Six-Coordinate Aluminum Cations Based on Salen Ligands

Structure-activity relationships three-dimensional-ligand-based

Structure-based De Novo Ligand Design

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

Structure-based ligand optimization

Sulphur-Based Ligands

Symmetry-based ligand field parameters

Systems for Ligand Binding and Enzyme Inhibition Assays Based on Mass Spectrometry

Taniaphos-based ligands

Technetium Schiff base and other nitrogen ligands

Templates ligand-based

Terphenyl-based ligands

Terpyridine-based ligands

Tetrapyrrole-based ligands

Thiazoline based ligands

Thiourea-based ligands

Three-dimensional ligand-based models

Three-dimensional ligand-based models structure-activity relationships

Titanium complexes with Schiff-base ligands

Topological ligand-based

Toxicity ligand based models

Virtual combinatorial library ligand structure-based design

Virtual ligand-based

Water-based reactions hydrophilic ligands

Water-based reactions immobilized ligands

Water-based reactions ligand structures

Xantphos-based diphosphine ligands

© 2024 chempedia.info