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hexapeptide/dental caries

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Structural properties and anion binding affinity of cyclo[(1R,3S)-gamma-Acc-Gly]3 hexapeptide.

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The structural and anion binding properties of all-trans cyclo[(1R,3S)-gamma-Acc-Gly](3) hexapeptide [named as (TAG)(3)] were explored via quantum chemical studies. The (TAG)(3) form complexes with F(-), Cl(-), and Br(-) ions inside the cavity exhibiting receptor like conformation. The structural
A one-handed 310 -helical hexapeptide is efficiently encapsulated within the helical cavity of st-PMMA when a fullerene (C60 ) derivative is introduced at the C-terminal end of the peptide. The encapsulation is accompanied by induction of a preferred-handed helical conformation in the st-PMMA

Kinetics and mechanism of degradation of a cyclic hexapeptide (somatostatin analogue) in aqueous solution.

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A highly active cyclic hexapeptide analogue of somatostatin, Cyclo(N-Me-L-Ala-L-Tyr-D-Trp-L-Lys-L-Val-L-Phe), L-363,586, was found to improve the control of postprandial hyperglycemia in diabetic animals when given in combination with insulin. The compound is reported to be relatively stable in
We performed a computational investigation to understand the conformational preferences of four short peptides in a self-assembled cage based on the experimental work by Y. Hatakeyama et al. (Angew. Chem. Int. Ed.2009, 48, 8695). For this purpose, we combined molecular dynamics simulations, Monte
OBJECTIVE The aims were to assess the contribution of arg-gly-asp (RGD) mediated cell integrin-matrix bonds to interstitial hydraulic resistance and to fenestrated endothelial permeability in joints. Joint fluid is generated by filtration from fenestrated capillaries and drains through a
Self-assembling peptides are capable of forming a complex containing a cavity where cytotoxic agents can be wrapped in a self-assembling manner. These complexes are beneficial for improving the pharmacological properties and pharmacokinetics of cytotoxic agents, such as doxorubicin and paclitaxel.

Structure of bovine trypsinogen at 1.9 A resolution.

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The three-dimensional crystal structure of bovine trypsinogen at approximately pH 7.5 was initially solved at 2.6 A resolution using the multiple isomorphous replacement method. Preliminary refinement cycles of the atomic coordinates trypsinogen have been carried out first to a resolution of 2.1 A,

Metal ion binding of the alpha-gamma hybrid cyclic peptide nanotubes--a theoretical study based on the ONIOM method.

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The quantum mechanics/molecular mechanics ONIOM calculations have been performed to study the structure and metal-ion binding properties of all-trans cyclo[1R-3S-gamma-Acc-Gly]3 hexapeptide nanotube (TAG)3PNT. The intersubunit distances and tube angle of (TAG)3PNT exhibited the sturdy nature of

Heterobifunctional photoaffinity probes for cytochrome P450 2B.

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Three heterobifunctional photoaffinity probes, N-(p-azidobenzyl)-N-methyl-p-aminobenzylamine (I), N-(p-azidobenzyl)-N-methyl-p-aminophenethylamine (II), and N-(p-azidophenethyl)-N-methyl-p-aminophenethylamine (III), were synthesized and characterized. These probes, containing a photolabile

Ovarian and sperm regulatory peptides regulate ovulation in the oyster Crassostrea gigas.

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For more than six decades, several studies have shown that genital products to entering the mantle cavity via the incurrent siphon, initiate in oyster, strong and rhythmic contractions of the adductor muscle (AM). In order to characterize the regulatory peptides capable of triggering AM

Tight Xenon Confinement in a Crystalline Sandwich-like Hydrogen-Bonded Dimeric Capsule of a Cyclic Peptide.

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A cyclic hexapeptide with three pyridyl moieties connected to its backbone forms a hydrogen-bonded dimer, which tightly encapsulates a single xenon atom, like a pearl in its shell. The dimer imprints its shape and symmetry to the captured xenon atom, as demonstrated by 129 Xe NMR

Structural and dynamical studies of all-trans and all-cis cyclo[(1R,3S)-gamma-Acc-Gly]3 peptides.

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The quantum chemical and molecular dynamics studies have been performed to infer the structural changes of all-trans and all-cis forms of cyclo[(1R,3S)-3-aminocyclohexanecarboxylicacid(gamma-Acc)-alpha-Glycine(Gly)](3) hexapeptide. The backbone conformations of the above peptide have been analyzed
Using serial analysis of gene expression on cultured human keratinocytes we found high expression levels of genes putatively involved in host protection and defense, such as proteinase inhibitors and antimicrobial proteins. One of these expressed genes was the recently discovered cysteine proteinase

Structure of mitochondrial ADP/ATP carrier in complex with carboxyatractyloside.

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ATP, the principal energy currency of the cell, fuels most biosynthetic reactions in the cytoplasm by its hydrolysis into ADP and inorganic phosphate. Because resynthesis of ATP occurs in the mitochondrial matrix, ATP is exported into the cytoplasm while ADP is imported into the matrix. The exchange

Anion-binding properties of a cyclic pseudohexapeptide containing 1,5-disubstituted 1,2,3-triazole subunits.

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A C(3) symmetric cyclic pseudohexapeptide containing 2-aminopicoline-derived subunits and 1,5-disubstituted 1,2,3-triazole rings is introduced as a potent anion receptor. This macrocycle was designed to mimic both the conformation and the receptor properties of a previously described cyclic
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