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Ligands interactions

Finally, the interaction of the cation with the medium outside the ligand (or the solvation) shell may also play an important role in control-ing the complexation properties of a given ligand. Two main effects are operative the change in free energy of solvation of the cation from one [Pg.9]

A more complete and much more rigorous description of bonding in complexes would be provided by a quantum mechanical treatment. Such a treatment is especially needed in the case of departures from the ionic model and increasing contribution of covalent bonding (ion pairs, soft donors and acceptors). However only a few studies have been reported. They are mainly concerned with cation hydration and use either semi-empirical 19—21) or non-empirical methods 22—24). A non-empirical treatment of cation NH3 systems has also been performed recently (25). However the present state of the computations is still far from providing a complete description of the system including the medium. The latter may be taken into account by a Bom-type solvaton (27,26). Heats of hydration may then be calculated (27). A discussion of this aspect of the problem is deferred to a later date, awaiting especially a more complete analysis of non-empirical calculations. In the course of the discussion of [Pg.10]

E-cadherin is unique in that it not only, like other cadherin family members, mediates homophilic adhesion to establish and maintain cellcell contacts, it also serves as a counter-receptor for integrins Oe/37 (Cepek et al, 1994) and (Whittard et al, 2002) in heterophilic adhesion. In fact, the interaction between E-cadherin on mucosal epithelial cells and Oe/S on intraepithelial lymphocytes has been the best characterized tissue-specific interaction for lymphocyte retention. Although structure of binding domains between E-cadherin and is not available, mutagenesis [Pg.51]

Very recently, molecular electron microscopic image of a complex between the integrin headpiece and its physiological ligand, the [Pg.53]

Fibrinogen is a 340 kDa soluble glycoprotein found in the blood plasma of all vertebra animals. It functions in vivo as the precursor to an insoluble fibrin clot. Fibrinogen is a dimeric protein, with each protomer consisting [Pg.54]

Alonso, J. L., Essafi, M., Xiong, J. P., Stehle, T., and Amaout, M. A. (2002). Does the integrin oA domain act as a ligand for its / A domain Curr. Biol. 12, R340-R342. [Pg.57]

Aumailley, M., Timpl, R., and Sonnenberg, A. (1990). Antibody to integrin a6 subunit specifically inhibits cell-binding to laminin fragment 8. Exper. Cell Res. 188, 55-60. [Pg.57]


In an extensive SFA study of protein receptor-ligand interactions, Leckband and co-workers [114] showed the importance of electrostatic, dispersion, steric, and hydrophobic forces in mediating the strong streptavidin-biotin interaction. Israelachvili and co-workers [66, 115] have measured the Hamaker constant for the dispersion interaction between phospholipid bilayers and find A = 7.5 1.5 X 10 erg in water. [Pg.247]

Simulation Studies of Protein-Ligand Interactions 141 Table 2. Table Ligand-protein interaction energies and free energies (kcal/mol). [Pg.141]

Kuntz I D, J M Blaney, S J Oatley, R Langridge and T E Ferrin 1982. A Geometric Approach t Macromolecule-Ligand Interactions. Journal of Molecular Biology 161 269-288. [Pg.739]

Similar ligand-ligand interactions have been reported for a large number of ternary -amino acid complexes, built up of two different amino acid.s. A compilation of 72 examples is presented in reference 39. The extra stabilisation due to ligand-ligand interactions in these complexes depends on the character of the amino-acid side chains and amounts to 0.34 - 0.57 kJ/mole for combinations of aromatic and aliphatic side chains and 0.11 - 6.3 kJ/mole when arene - arene interactions are possible. ... [Pg.88]

MOMEC is a force field for describing transition metal coordination compounds. It was originally parameterized to use four valence terms, but not an electrostatic term. The metal-ligand interactions consist of a bond-stretch term only. The coordination sphere is maintained by nonbond interactions between ligands. MOMEC generally works reasonably well for octahedrally coordinated compounds. [Pg.55]

This experiment provides a nice example of the application of spectroscopy to biochemistry. After presenting the basic theory for the spectroscopic treatment of protein-ligand interactions, a procedure for characterizing the binding of methyl orange to bovine serum albumin is described. [Pg.448]

When the ligands interact more strongly the MOs of the ligands must be taken into account. This type of MO theory is referred to as ligand field theory. [Pg.271]

Metal Weak Strong Ligand interaction interaction o orbits... [Pg.274]

Newel experimental approaches to anxiety therapy include ligands interacting with the ligand-gated ion channels that are selectively activated by nicotine, C qH 4N2 (87), the well-known active ingredient of cigarettes which has anxiolytic actions (42). Cholecystokinin B receptor ligands, specifically the dipeptoid, CI-988 [130404-91 -0] 02 1142 40 (88) have demonstrated anxiolytic activity ia preclinical models (43). [Pg.542]

In addition to halopeiidol, the putative neuroleptics, limcazole (311), lemoxipiide (312), and gevotioline (313) bind to (7-ieceptois as does the dopamine uptake blocker, GBR 12909 (314) and two ligands active at the NMDA receptor, ifenprodil (315) and CNS 1102 (316). NPC 16377, (317) is a selective (7-teceptor ligand. MAO inhibitors and antidepressants also bind to (7-teceptors. Some evidence indicates that (7-teceptors in the brain are in fact a form of cytochrome which may account for the diversity of ligands interacting with (7-sites. [Pg.573]


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A quantum insight into the study of enzyme-ligand interactions

A single ligand orbital cr interactions

Agostic interactions ligands

Agostic interactions other ligands

Analyzing Protein-Ligand Interactions Using Pharmacophore Fingerprints

Aptasensors aptamer-ligand interaction detection

Association constants, receptor-ligand interaction

Association constants, receptor-ligand interaction determination

Associative mechanism lead-ligand interactions

Basic Thermodynamics of Protein-Ligand Interactions

Binding free energy protein-ligand interactions

Bio-molecular simulation protein-ligand interactions

Bioinformatics protein-ligand interactions

Biomacromolecule-ligand interactions

Biosensors ligand-receptor interactions

Bridging ligand, strong interactions between metals through

Bridging ligand, weak interaction

Bridging ligand, weak interaction between metals through

CANCER METASTASIS Ligand-receptor interaction

CYP ligand interactions

Calcium-ligand interactions

Cancer, selectin-ligand interactions

Carbonyl compounds, electron ligand interaction

Cell adhesion integrins/ligand interactions

Characterization of the Receptor-Ligand Interaction

Chemical microarrays for studying protein-ligand interactions

Chemokines receptor-ligand interactions

Contributions to Protein-Ligand Interactions

Coordination compounds metal-ligand resonance interaction

Cyclopentadienyl ligand interactions with metal center

DNA/ligand interactions

Density functional theory protein-ligand interactions

Description of Scoring Functions for Receptor-Ligand Interactions

Dissociative mechanism, lead-ligand interactions

Energy ligand-receptor interaction

Entropic effects, ligand-protein interaction

Experimental Approaches to Determine the Thermodynamics of Protein-Ligand Interactions

Factors that affect the stability of metal-ligand interactions

Fast Radical Footprinting for Protein-Ligand Interaction Analysis

Force fields protein-ligand interactions

Free ligand-protein interaction

Geometry ligand-receptor interactions

Hemocyanin ligand interactions

Hemoglobin (ligand:receptor interaction

Hemoglobin ligand-protein interaction

High ligand-receptor interactions

Hydroxylation ligand-receptor interactions

Integrin-ligand interactions

Integrins ligand interactions with

Interaction Enzyme-ligand

Interaction between the ligand and receptor

Interaction kinase-ligand

Interaction of ERa and ERP with Ligands

Interaction of ancillary ligand with fluorescent metal complexes within the MIP

Interaction of ligands

Interactions with acetylenes and allyl ligands

Interactions, analyte-ligand

Interactions, analyte-ligand affinity chromatography

Interactions, protein receptor-ligand

Intermolecular Forces in Protein-Ligand Interactions

Interpretation protein-ligand interaction

Ion-ligand interaction

Ionic Interactions as a Means to Form Heterobidentate Assembly Ligands

Kinetics lead-ligand interactions

Lanthanide-organic ligand interaction

Lectin—ligand interaction

Libraries receptor-ligand interactions

Ligand binding aromatic interactions

Ligand binding electrostatic interactions

Ligand binding hydrophobic interactions

Ligand binding interaction energies

Ligand binding interactions

Ligand binding interactions, human serum

Ligand binding interactive

Ligand binding steric interactions

Ligand binding weak interactions

Ligand critical interaction with receptor

Ligand hyperfine interactions

Ligand interaction energies

Ligand interaction map

Ligand interaction scanning

Ligand interaction with target

Ligand interactions kinetics

Ligand interactions lead compounds

Ligand interactions macrocyclic ligands

Ligand interactions silylated ligands

Ligand interactions substitution

Ligand interactions thermodynamics

Ligand interactions, CASPT2/CASSCF

Ligand nonbonded interaction

Ligand properties receptor interactions

Ligand structures metal-sulfur interactions

Ligand superhyperfine interaction

Ligand surface interaction energy

Ligand-active site interactions

Ligand-binding site interactions

Ligand-field interaction

Ligand-lanthanide interaction

Ligand-ligate interaction

Ligand-protein interactions hydroxylation

Ligand-receptor interaction kinetics

Ligand-receptor interaction, cellular

Ligand-receptor interaction, cellular communication

Ligand-receptor interaction-induced

Ligand-receptor interaction-induced functional effects

Ligand-receptor interactions

Ligand-receptor interactions affinity

Ligand-receptor interactions analysis

Ligand-receptor interactions cellular responses

Ligand-receptor interactions complex

Ligand-receptor interactions molecular modeling

Ligand-receptor interactions molecules

Ligand-receptor interactions stereoselectivity

Ligand-receptor interactions, computational

Ligand-receptor interactions, computational approach

Ligand-receptor interactions, specific

Ligand-receptor interactions, specific sites

Ligand-target interaction data

Ligands and Quantitate Interaction Energy

Ligands interaction with receptors

Ligands steric interactions

Ligands vanadate/vanadyl interactions

Ligands weak interactions

Macromolecule-ligand interactions

Membrane proteins, ligand interactions

Metal-ligand binding interactions

Metal-ligand coordinative interaction

Metal-ligand interaction, anion sensing

Metal-ligand interaction, anion sensing based

Metal-ligand interaction, concepts

Metal-ligand interactions

Metal-ligand interactions, supramolecular

Metal-ligand n interactions

Metal-ligand resonance interaction

Metalloporphyrins ligand interactions

Metals, peptide ligand interactions

Modelling Ligand-Quadruplex Interactions

Molecular ligand-receptor interaction

Molecular modeling protein-ligand interactions

Monocarboxylate ligands, interaction

Myoglobin ligand-protein interaction

Myoglobin-ligand interaction, contour map

Nuclear Magnetic Resonance macromolecule-ligand interactions

Nucleic acids ligand interactions modeling

Numerical results on metal-ligand resonance interaction

Opioid ligands interaction

Organometallic complexes, ligand metal interaction

Polymer-ligand interaction

Protein interactions with ligands

Protein kinases kinase - ligand interactions

Protein-Ligand Interactions Engineering

Protein-Ligand Interactions Revealing Biological Specificity

Protein-Ligand Interactions mutated

Protein-Ligand Interactions mutations

Protein-Ligand Interactions phenotype

Protein-Ligand Interactions: From Molecular Recognition to Drug Design

Protein-ligand binding amino-aromatic interactions

Protein-ligand binding interactions

Protein-ligand binding oxygen-aromatic interactions

Protein-ligand interaction

Protein-ligand interaction fingerprint

Protein-ligand interactions QSAR studies

Protein-ligand interactions advantages

Protein-ligand interactions affinity measurements

Protein-ligand interactions binding affinity

Protein-ligand interactions binding order

Protein-ligand interactions calmodulin binding

Protein-ligand interactions characterization

Protein-ligand interactions disadvantages

Protein-ligand interactions examples

Protein-ligand interactions reductase

Protein-ligand interactions scoring

Protein-ligand interactions targets

Protein-ligand interactions, energetics

Protein-ligand interactions, factors affecting

Protein-ligand interactions/complexes

Quantitative determination of equilibrium binding isotherms for multiple ligand-macromolecule interactions using spectroscopic methods

RNA-ligand interactions

Radioligands ligand-receptor interactions

Receptor-ligand binding interactions

Receptor-ligand binding interactions equilibrium thermodynamics

Receptor-ligand interaction screening

Receptor-ligand interactions defining

Receptor-ligand interactions, affinity capillary electrophoresis

Retinoid receptors ligand-receptor interaction

Screening Protein-Ligand Interactions

Selectin-carbohydrate interactions oligosaccharide ligands

Selectin-ligand interactions

Selectin-ligand interactions in lymphocyte function

Selectin-ligand interactions inhibition

Single ligand-receptor interaction

SnCU" ligand, interaction with

Solvent-ligand interactions

Strong protein-ligand interactions

Structure-Activity Relationships in Modeling Nucleic Acid Ligand Interactions

Structure-activity relationship nucleic acid ligand interactions

Supported ligand synergistic interaction

Target ligand interactions

Target polar interaction with ligand

The Metal-Ligand Interaction

Thermodynamic lead-ligand interactions

Thermodynamics protein-ligand interactions

Two Identical Sites on a Polymer Direct Interaction between the Ligands

Unfavorable protein-ligand interactions

Using Gel Filtration to Study Ligand-Protein Interactions

Virus-ligand interactions

Water ligand-binding site interactions

Zinc-ligand interactions

Zinc-ligand interactions carbonyl

Zinc-ligand interactions cysteine

Zinc-ligand interactions histidine

Zinc-ligand interactions phosphate

Zinc-ligand interactions solvent

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