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Query: UNIPROT:P06889 (Mol)
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We have previously demonstrated that maternal undernutrition during either the 'periconceptional' (i.e. from 60 days (d) before until 7 d after mating) or 'gestational' periods (i.e. from 8 d after mating until the end of pregnancy) have differential effects on the subsequent development of the hypothalamo-pituitary-adrenocortical (HPA) axis and on adrenal growth and steroidogenesis in the sheep fetus during late gestation (term=147+/-3 d gestation). The specific mechanisms by which periconceptional or gestational undernutrition result in activation of the fetal HPA axis in late gestation are unclear. We have therefore investigated the impact of maternal nutrient restriction imposed either during the periconceptional period, or between 8 and 147 d gestation on the expression of specific genes in the fetal pituitary and adrenal which regulate adrenal steroidogenesis in late gestation. Ewes were maintained on either a Control (C) or Restricted (R, 70% of C) diet from 60 d before until 7 d after mating (periconceptional period) and then maintained on either a Control or Restricted diet from 8 d after mating for the remainder of pregnancy (gestational period). Four nutritional treatment groups were therefore generated (C-C, C-R, R-R and R-C). Whilst periconceptional undernutrition (R-R and R-C groups) resulted in higher fetal plasma adrenocorticotrophic hormone (ACTH) at 135-146 d gestation, there was no change in the relative level of expression of the ACTH receptor (MC2R), steroidogenic acute regulatory protein (StAR) or steroidogenic enzyme mRNAs in the fetal adrenal in late gestation. Exposure to gestational undernutrition (R-R and C-R groups), however, resulted in a stimulation in the relative level of expression of MC2R mRNA (P=0.001) and StAR mRNA (P=0.007) in the fetal adrenal during late gestation. This study provides new insights into the potential mechanisms by which alterations of the nutrient environment of the fetus at different stages of gestation may result in differential activation of the fetal HPA axis.
Mol Cell Endocrinol 2002 Oct 31
PMID:Maternal undernutrition throughout pregnancy increases adrenocorticotrophin receptor and steroidogenic acute regulatory protein gene expression in the adrenal gland of twin fetal sheep during late gestation. 1238 20

2,3-Diphenyl-cycloprop-2-enone (DPC) was investigated aiming to understand the origins of the anomalous solvatochromism in its vibrational spectrum. Its Raman and IR spectra in several solvents were obtained revealing that the v(C=C) mode is much more sensitive to the solvent than the v(C=O) mode. Hartree-Fock and density functional theory calculations were undertaken for obtaining the structure and the vibrational spectra of DPC and 2,3-dimethylcycloprop-2-enone (DMC), revealing that both in terms of structure as well as of vibrational spectrum, DPC and DMC are very similar. Such results indicated that DMC could be used as a model system to simulate the solvent effect in DPC, what was done using three different methods: the first takes into account the dielectric effect via the self-consistent reaction field (SCRF); the second is the supermolecular approach that considers explicity the formation of solute-solvent clusters and the third is a combined approach, SCRF + supermolecule. The anomalous solvatochromism in the vibrational spectrum of DPC can be understood on basis of the significant participation of the v(C=O) mode in the one assigned to the v(C=C) vibration, as well as by the presence of a Fermi resonance involving the former. In addition, the v(C=O) mode involves a significant participation of the (C-C) mode (C(cyclopropene)-C(phenyl)) and the two interatomic distances, C=O and C-C, show opposite trends with increasing solvent polarity. Summing up, the anomalous solvatochromic effect of DPC can be understood by the complex composition of its v(C=O) mode that, in addition, is affected by the presence of a Fermi resonance.
Spectrochim Acta A Mol Biomol Spectrosc 2002 Dec
PMID:The anomalous solvent effect in the vibrational spectrum of 2,3-diphenyl-cycloprop-2-enone: an experimental and theoretical investigation. 1251 Oct 98

Ripple phase modelling was achievable by taking into consideration the dipole structure of the polar heads of model membrane molecules. Computer simulations enabled the selective analysis of a model membrane. Considering only the hydrophobic part of the lipid membrane, the gel-fluid transition stage can be obtained in such a simulation. Assuming an additional degree of freedom, the entire molecule can move along the normal to the membrane surface projected from two C-C bonds. The amounts of shifted lipids were 17% and 33% at temperatures of 300 K (gel) and 330 K (fluid), respectively. Taking into account only polar head interactions in media of different ionic strength I, dielectric constant epsilon, and an effective charge and temperature, we could observe the same behaviour of the examined system independently of the values of I and ( when the charge was reduced to q/2. The amount of shifted heads at 300 K decreases sharply with the reduced charge value, with an accompanying increase in the number of "standing" polar heads. Summing up, it can be stated that hydrocarbon lipid chains exhibit a greater tendency to displacement in the fluid state than in the gel state. However, the polar heads behave in the opposite way: there are more displaced heads at 300 K than at 330 K. Thus, the overall analysis of the interactions between the molecules of the model membrane should enable us to find model parameters suitable for studying the lipid membrane at a wide range of temperatures. Finally, an electrostatic profile close to the membrane surface could be estimated in different membrane states. This should be useful in membrane-biologically active compound interaction analysis.
Cell Mol Biol Lett 2002
PMID:Computer simulation studies on the significance of lipid polar head charge. 1251 66

The vibrational frequencies and corresponding normal mode assignments of maleonitrile are examined theoretically using the GAUSSIAN98 set of quantum chemistry codes. All normal modes were successfully assigned to one of eight types of motion predicted by a group theoretical analysis (C triple bond N stretch, C=C stretch, C-C stretch, C-H stretch, C-H bend, C-C triple bond N bend, C-C triple bond N bend, C-C=C-C torsion) utilizing the C(2v) symmetry of the molecule. The molecular orbitals of maleonitrile are also examined.
Spectrochim Acta A Mol Biomol Spectrosc 2003 Mar 15
PMID:Vibrational frequencies and structural determinations of maleonitrile. 1263 30

Remarkably large blue shifts of the nu2 C [triple bond] N stretch, nu4 C-C stretch, and nu8 CCN deformation bands of CD3CN are observed in the infrared and Raman spectra of CD3CN solution of GaCl3, resulting from the donor-acceptor interaction of CD3CN with the Lewis acid. The Raman spectrum in the nu2 region shows further details; three new bands emerge on the blue side of the nu2 band of free CD3CN and the relative intensities between the bands vary with concentration, suggesting that there exist at least three different complexes in the solution. Parallel to the nu2 region, similar new bands are observed on the blue sides of the nu4 and nu8 bands of free CD3CN. The strong hydrogen bonds formed between the CD3 group and the chlorine atoms of the solute result in a large band appearing on the low frequency side of the nu1 CD3 symmetric stretch band of free CD3CN. The solvation number of GaCl3, as determined from the Raman intensities of the C [triple bond] N stretch bands for free and coordinated CD3CN, increases from 1.3 to about 1.7 with decreasing concentration.
Spectrochim Acta A Mol Biomol Spectrosc 2003 May
PMID:Solvation of GaCl3 in deuterated acetonitrile studied by means of vibrational spectroscopy. 1271 75

Asthma is characterized by an increased production of eosinophil-active C-C chemokines by the airway epithelium. Recent studies have identified the presence of important quantities of labile zinc in the conducting airways. We hypothesized that modulation of this labile zinc could influence the production of proinflammatory chemokines in respiratory epithelial cells. The zinc chelator N,N,N',N'-tetrakis(2-pyridylmethyl)ethylenediamine (TPEN) and the heavy metal chelator 2,3-dimercapto-1-propanesulfonic acid (DMPS) were used to reduce the labile zinc content of A549, BEAS-2B, and HFL-1 cells. Northern blot analysis and RNase protection assay were used to study the effects of the zinc chelators on mRNA expression. DMPS and TPEN specifically inhibited the production of eotaxin, regulated on activation, normal T-cell expressed, and presumably secreted, and monocyte chemotactic protein-1 in TNF-alpha-stimulated respiratory epithelial cells and fibroblasts through labile zinc chelation. The inhibitory effects of DMPS and TPEN were associated with the decreased binding of the zinc-finger transcription factor GATA-1, whereas no change in NF-kappaB activation was observed. Together these results demonstrate that modulation of the labile pool of zinc can regulate gene expression and protein synthesis of C-C chemokines in lung epithelial cells and fibroblasts.
Am J Physiol Lung Cell Mol Physiol 2003 Sep
PMID:Zinc chelators inhibit eotaxin, RANTES, and MCP-1 production in stimulated human airway epithelium and fibroblasts. 1276 81

Magnetic resonance results, principally from 2H-nuclear magnetic resonance, indicate that the mean lipid-chain ordering at the surface of transmembrane proteins is comparable to that in fluid lipid bilayers. Principally, it is the requirement for matching the hydrophobic lengths of lipid and protein that modulates the degree of chain ordering at the lipid-protein interface. The distribution of chain order parameters is, nonetheless, broader in the presence of integral proteins than in fluid lipid bi-layers. The chain configurations of the phospholipids that are resolved in crystals of integral membrane proteins display considerable conformational heterogeneity. Chain C-C dihedral angles are, however, not restricted to the energetically allowable trans and gauche rotamers.This indicates that the chains of a given lipid do not have a unique configuration in protein crystals.
Cell Mol Life Sci 2003 Aug
PMID:Lipid interactions with transmembrane proteins. 1451 32

Cytokines are protein/glycoprotein messengers of the immune system and have distinct autocrine and paracrine functions to modulate immunity. Recombinant cytokine proteins have been employed as biological drugs for cancer, viral and autoimmune targets. Unfortunately, systemic delivery of pharmacological doses of proteins often results in severe side effects and toxicities. As these therapeutic proteins tend to have very short half-lives and are complex to manufacture and deliver, many investigators are evaluating the genetic delivery of cytokine genes. Here, some of the promising cytokines currently under investigation for cancer therapies are examined, including interleukin (IL)-2, IL-4, IL-12, IL-24, interferon (IFN)-alpha, IFN beta, IFN gamma, granulocyte-monocyte colony-stimulating factor and tumor necrosis factor (TNF)-alpha. Chemokines are smaller chemotactic cytokines which induce migration of leukocytes, activate inflammatory responses, and are implicated in the regulation of tumor development and growth. Chemokines can modulate tumor growth via regulation of tumor-associated angiogenesis, by activation of host immunological responses or by direct inhibition of tumor cell proliferation. In this review, chemokines that have been proposed as antitumor drugs will be discussed, including Glu-Leu-Arg (ELR)-negative chemokines such as IP-10, MCP-3, MIG and SDF-1 alpha from the human CXC and C-C chemokine families.
Curr Opin Mol Ther 2003 Oct
PMID:Cytokine- and chemokine-based gene therapy for cancer. 1460 14

The vibrational frequencies and corresponding normal mode assignments of 1,1-dicyanocyclopropane are examined theoretically using the Gaussian98 set of quantum chemistry codes. All normal modes were successfully assigned to one nine types of motion predicted by a group theoretical analysis (C-H stretch, C[triple bond]N stretch, C-C stretch, C-C[triple bond]N bend, C-C-C bend, CH2 scissors, CH2 wag, CH2 rock, CH2 twist) utilizing the C2v symmetry of the molecule. The molecular orbitals of 1,1-dicyanocyclopropane are also examined.
Spectrochim Acta A Mol Biomol Spectrosc 2003 Dec
PMID:Vibrational frequencies and structural determinations of 1,1-dicyanocyclopropane. 1460 20

Fourier transform infrared and Fourier transform Raman spectra of n-C(3)H(7) and i-C(3)H(7) dialkylphosphonates have been obtained. Semiempirical AM1 and the ab initio orbital molecular RHF/6-31G* theories have been used to study the molecular geometry, and the harmonic vibrational spectra with the purpose to assist the experimental assignments of these compounds. An extensive discussion on the assignment of the C-C, C-O, P-O and P=O stretching is carried out based on experimental data of compounds which have the propyl and isopropyl groups, as well as comparing the vibrational spectra of propane. Most of the RHF/6-31G* and AM1 results, once applied the appropriate scaling factor, showed an excellent agreement with the experimental wavenumbers. A few calculated frequencies related to CC and CO stretching do not agree well with the experimental trends.
Spectrochim Acta A Mol Biomol Spectrosc 2004 Jan
PMID:Vibrational study of dialkylphosphonates: di-n-propyl- and di-i-propylphosphonates by semiempirical and ab initio methods. 1467 Apr 60


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