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See detailMolecular Modeling Study of Beta- and Gamma-Cyclodextrin Complexes with Miconazole
Piel, Géraldine ULg; Dive, Georges ULg; Evrard, Brigitte ULg et al

in European Journal of Pharmaceutical Sciences (2001), 13(3), 271-9

Different authors have demonstrated the inclusion of miconazole in cyclodextrins (CD). Miconazole can be included in the CD cavity both in the neutral and in the ionized form. The present study tries to ... [more ▼]

Different authors have demonstrated the inclusion of miconazole in cyclodextrins (CD). Miconazole can be included in the CD cavity both in the neutral and in the ionized form. The present study tries to understand which fragment of the miconazole molecule is involved in the inclusion. Austin Model 1 approximate molecular orbital calculations have been performed on several complexes between beta-cyclodextrin (betaCD) or gamma-cyclodextrin (gammaCD) and miconazole in the ionized and the non-ionized forms of the two R and S enantiomers in three different orientations. We observed that betaCD is a good vehicle to transport miconazole which can be very easily released. The complexation energy between miconazole and betaCD is not very high but the entropic factor has a great incidence on the stability of the formed complex. The inclusion of the dichlorobenzene-CH(2)-O- and of the imidazole part of the S isomer gives rise to the most probable complex in acidic conditions (ionized miconazole). Nevertheless, the inclusion should be considered as a dynamic process in which different parts of the molecule could be alternatively included in betaCD. The present work demonstrates the high capability of deformation of betaCD which could easily accommodate several types of ligand. By opposite, the cycle extension in gammaCD leads to a more rigid vehicle with regards to miconazole. [less ▲]

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See detailMolecular modelling study of bis-isoquinolinium derivatives as small conductance Ca2+ - activated K+ channel blockers
Dilly, Sébastien ULg; Graulich, Amaury; Chavatte, Philippe et al

Poster (2008, May 30)

Small conductance calcium-activated potassium channels (SK) are widely expressed throughout the central nervous system and the periphery. Three subtypes of SK channels have been identified so far in ... [more ▼]

Small conductance calcium-activated potassium channels (SK) are widely expressed throughout the central nervous system and the periphery. Three subtypes of SK channels have been identified so far in different parts of the brain. Activation of SK channels by a rise in intracellular calcium leads to the hyperpolarisation of the membrane, hence reducing cell excitability. Blocking the SK channels might be beneficial for the treatment of depression, Parkinson’s disease and cognitive disorders. In this context, starting from the scaffold of N-methyl-laudanosine (NML) which is a known SK channel blocker (Scuvée-Moreau et al., 2002), a series of original bis-isoquinolinium derivatives were synthezised and evaluated for their affinity on the apamin-sensitive sites (Graulich et al., 2007). These quaternary compounds are powerful blockers, and the most active ones have 10 times more affinity for SK channels than dequalinium. Based on a conformational analysis, a molecular modeling study was also performed. The heads of the various conformational families were compared to a pharmacophoric model previously described (Dilly et al., 2005). The in silico results are well correlated by the in vitro binding studies. Firstly, a 6,7-dimethoxy or a 6,7,8-trimethoxy substitution is shown to be favourable. Secondly, although the length of the linker has no significant influence in the alkane derivatives, the ortho and meta linkers lead to more favourable conformations than the para linker in the xylene derivatives. [less ▲]

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See detailMolecular monitoring of the introgression in Gossypium hirsutum L. of G. sturtanium Willis genes controlling the "glanded-plant and glandless-seed" trait
Benbouza, H.; Lacape, M.; Jacquemin, J. M. et al

in World Cotton Research Conference - 3. Cotton production for the new Millenium (2004)

One hundred mapped micro-satellites markers located on the chromosomes of subgenome Ah were used to monitor the introgression of DNA fragments coming from the Australian species G. sturtianum Willis in ... [more ▼]

One hundred mapped micro-satellites markers located on the chromosomes of subgenome Ah were used to monitor the introgression of DNA fragments coming from the Australian species G. sturtianum Willis in BC1, BC2, BC2S1, BC2S2, BC2S3, BC3, BC3S1 and BC3S2 obtained from the G. hirsutum L. x G. raimondii Ulb. x G. sturtianum (HRS) trispecific hybrid. In these plants, the inhibition of the gossypol synthesis only in the seed seems to be linked to the substitution of fragments of linkage groups C2, C3, C4, C5, C6, C7 and C9 of G. hirsutum by homeologous segments of G. sturtianum chromosomes. The prospect to use these genetic stocks to develop commercial varieties is discussed according to the putative genetic determinism of the “low-gossypol seed and high-gossypol plant”-trait. [less ▲]

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See detailThe Molecular Neuron-Glia Couple and Epileptogenesis
Grisar, Thierry ULg; Lakaye, Bernard ULg; Thomas, E. et al

in Advances in Neurology (1999), 79

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See detailThe molecular neuron-glia couple and epileptogenesis
Grisar, Thierry ULg; Lakaye, Bernard ULg; Thomas, Elizabeth et al

in Delgado-Escueta, A. V.; Wilson, W. A.; Olsen, R. W. (Eds.) et al Jasper's Basic Mechanisms of the Epilepsies, 3rd edition (1999)

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See detailMolecular organization of selected prokaryotic S-Iayer proteins
Claus, Harald; Akça, Erol; Debaerdemaeker, Tony et al

in Canadian Journal of Microbiology (2005), 51

Regular crystalline surface layers (S-layers) are widespread among prokaryotes and probably represent the earliest cell wall structures. S-layer genes have been found in approximately 400 different ... [more ▼]

Regular crystalline surface layers (S-layers) are widespread among prokaryotes and probably represent the earliest cell wall structures. S-layer genes have been found in approximately 400 different species of the prokaryotic domains bacteria and archaea. S-layers usually consist of a single (glyco-rprotein species with molecular masses ranging from about 40 to 200 kDa that form lattices of oblique, tetragonal, or hexagonal architecture. The primary sequences of hyperthermophilic archaeal species exhibit some characteristic signatures, Further adaptations to their specific environments occur by various post-translational modifications, such as linkage of glycans, lipids, phosphate, and sulfate groups to the protein or by proteolytic processing. Specific domains direct the anchoring of the S-layer to the underlying cell wall components and transport across the cytoplasma memhrane. In addition to their presumptive original role as protective coats in archaea and bacteria, they have adapted new functions, e.g., as molecular sieves, attachment sites for extracellular enzymes, and virulence factors. [less ▲]

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See detailMolecular organization of surfactin-phospholipid monolayers: Effect of phospholipid chain length and polar head
Bouffioux, O.; Berquand, A.; Eeman, M. et al

in Biochimica et Biophysica Acta - Biomembranes (2007), 1768(7), 1758-1768

Mixed monolayers of the surface-active lipopeptide surfactin-C-15 and various lipids differing by their chain length (DMPC, DPPC, DSPC) and polar headgroup (DPPC, DPPE, DPPS) were investigated by atomic ... [more ▼]

Mixed monolayers of the surface-active lipopeptide surfactin-C-15 and various lipids differing by their chain length (DMPC, DPPC, DSPC) and polar headgroup (DPPC, DPPE, DPPS) were investigated by atomic force microscopy (AFM) in combination with molecular modeling (Hypermatrix procedure) and surface pressure-area isotherms. In the presence of surfactin, AFM topographic images showed phase separation for each surfactin-phospholipid system except for surfactin-DMPC, which was in good agreement with compression isotherms. On the basis of domain shape and line tension theory, we conclude that the miscibility between surfactin and phospholipids is higher for shorter chain lengths (DMPC > DPPC > DSPC) and that the polar headgroup of phospholipids influences the miscibility of surfactin in the order DPPC > DPPE > DPPS. Molecular modeling data show that mixing surfactin and DPPC has a destabilizing effect on DPPC monolayer while it has a stabilizing effect towards DPPE and DPPS molecular interactions. Our results provide valuable information on the activity mechanism of surfactin and may be useful for the design of surfactin delivery systems. (c) 2007 Elsevier B.V. All rights reserved. [less ▲]

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See detailMolecular pathways involved in apoptotic cell death in the injured cochlea: Cues to novel therapeutic strategies
Lallemend, François; Lefèbvre, Philippe ULg; Hans, Grégory ULg et al

in Current Pharmaceutical Design (2005), 11(17), 2257-2275

Most hearing loss results from lesions of the sensory cells and/or neurons of the auditory portion of the inner ear. To date, only the cochlear implantation offers long-term hearing-aid benefit, but still ... [more ▼]

Most hearing loss results from lesions of the sensory cells and/or neurons of the auditory portion of the inner ear. To date, only the cochlear implantation offers long-term hearing-aid benefit, but still with limited performance and expensive cost. While the underlying causes of deafness are not clear, the death or hair cells and/or neurons and the loss of neuronal contacts are key pathological features. Pinpointing molecular events that control cell death in the cochlea is critical for the development of new strategies to prevent and treat deafness, whether in combination or not with cochlear implant therapy. [less ▲]

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See detailMolecular pathways of angiogenesis inhibition.
Tabruyn, Sébastien ULg; Griffioen, Arjan W

in Biochemical and Biophysical Research Communications (2007), 355(1), 1-5

A large body of evidence now demonstrates that angiostatic therapy represents a promising way to fight cancer. This research recently resulted in the approval of the first angiostatic agent for clinical ... [more ▼]

A large body of evidence now demonstrates that angiostatic therapy represents a promising way to fight cancer. This research recently resulted in the approval of the first angiostatic agent for clinical treatment of cancer. Progress has been achieved in decrypting the cellular signaling in endothelial cells induced by angiostatic agents. These agents predominantly interfere with the molecular pathways involved in migration, proliferation and endothelial cell survival. In the current review, these pathways are discussed. A thorough understanding of the mechanism of action of angiostatic agents is required to develop efficient anti-tumor therapies. [less ▲]

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See detailMolecular pathways supporting the proliferation staging of malignant melanoma (review).
Quatresooz, Pascale ULg; Pierard, Gérald ULg; Franchimont, Claudine ULg et al

in International Journal of Molecular Medicine (2009), 24(3), 295-301

The clinical diagnosis of cutaneous melanoma always calls for histological confirmation. In addition to the recognition of the classic aspects of the neoplasm, immunohistochemistry is determinant, in ... [more ▼]

The clinical diagnosis of cutaneous melanoma always calls for histological confirmation. In addition to the recognition of the classic aspects of the neoplasm, immunohistochemistry is determinant, in particular in the assessment of the size of the replicative compartment. Generally, the proliferation rate is indicative of the neoplastic progression and is related to the clinical growth rate of the neoplasm. It allows to distinguish high risk melanomas showing a high growth rate from those of lower malignancy associated with a restricted growth rate. In melanoma, the recruitment and progression of neoplastic cells in the cell cycle of proliferation have lost some of their controls that are normally processed by a series of key regulatory molecules. In addition, the apoptotic pathway counteracting any hyperproliferative activity is released of the dependency of specific regulated molecular mechanisms. This review summarizes the current knowledge on key molecular components involved in the deregulation of the growth fraction, cell proliferation and apoptosis in melanocytic neoplasms. The implication of cyclins and of the mitogen-activated protein kinase pathways are scrutinized. The involvement of neoplastic stem cells in the metastatic process is also discussed. [less ▲]

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See detailMolecular phylogeny and systematics of Dipodoidea: a test of morphology-based hypotheses
Lebedev, Vladimir; Bannikova, Anna; Pagès, Marie ULg et al

in Zoologica Scripta (2013), (3),

The superfamily Dipodoidea (Rodentia, Myomorpha) in its current interpretation contains a single family subdivided into six subfamilies. Four of them include morphologically specialized bipedal arid ... [more ▼]

The superfamily Dipodoidea (Rodentia, Myomorpha) in its current interpretation contains a single family subdivided into six subfamilies. Four of them include morphologically specialized bipedal arid-dwelling jerboas (Dipodinae – three-toed jerboas, Allactaginae – fivetoed jerboas, Cardiocraniinae – pygmy jerboas and Euchoreutinae – long-eared jerboas), the other two are represented by more generalized quadrupedal taxa (Zapodinae – jumping mice and Sminthinae – birch mice). Despite considerable effort from morphologists, the taxonomy as well as the phylogeny of the Dipodoidea remains controversial. Strikingly, molecular approach has never been envisaged to investigate these questions. In this study, the phylogenetic relationships among the main dipodoid lineages were reconstructed for the first time using DNA sequence data from four nuclear genes (IRBP, GHR, BRCA1, RAG1). No evidence of conflict among genes was revealed. The same robustly supported tree topology was inferred from the concatenated alignment whatever the phylogenetic methods used (maximum parsimony, maximum-likelihood and Bayesian phylogenetic methods). Sminthinae branches basally within the dipodoids followed by Zapodinae. Monophyletic Cardiocraniinae is sister to all other jerboas. Within the latter, the monophyly of both Dipodinae and Allactaginae is highly supported. The relationships between Dipodinae, Allactaginae and Euchoreutinae should be regarded as unresolved trichotomy. Morphological hypotheses were confronted to findings based on the presented molecular data. As a result, previously proposed sister group relationships between Euchoreutes and Sicista, Paradipus and Cardiocraniinae as well as the monophyly of Cardiocaniinae + Dipodinae were rejected. However, the latter association is consistently supported by most morphological analyses. The basis of the obvious conflict between genes and morphology remains unclear. Suggested modifications to the taxonomy of Dipodoidea imply recognition of three families: Sminthidae, Zapodidae and Dipodidae, the latter including Cardiocraniinae, Euchoreutinae, Allactaginae and Dipodinae as subfamilies. [less ▲]

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See detailMolecular phylogeny in the genus Phaseolus.
Fofana, B.; Du Jardin, Patrick ULg; Baudoin, Jean-Pierre ULg

in 3rd European conference on grain legumes. Opportunities for highquality, healthy and added-value crops to meet European demands.Valladolid, Spain, 14-19 November 1998. (1998)

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See detailMolecular phylogeny of symbiotic pearlfishes
Lanterbcq, D; Parmentier, Eric ULg; Todesco, Maïté et al

Poster (2009)

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See detailMolecular phylogeny of the Cricetinae subfamily based on the mitochondrial cytochrome b and 12S rRNA genes and the nuclear vWF gene
Neumann, K.; Michaux, Johan ULg; Lebedev, V. et al

in Molecular Phylogenetics and Evolution (2006), 39(1), 135-148

Despite some popularity of hamsters as pets and laboratory animals there is no reliable phylogeny of the subfamily Cricetinae available so far. Contradicting views exist not only about the actual number ... [more ▼]

Despite some popularity of hamsters as pets and laboratory animals there is no reliable phylogeny of the subfamily Cricetinae available so far. Contradicting views exist not only about the actual number of species but also concerning the validity of several genera. We used partial DNA sequences of two mitochondrial (cytochrome b, 12S rRNA) and one partial nuclear gene (von Willebrand Factor exon 28) to provide a first gene tree of the Cricetinae based on 15 taxa comprising six genera: According to our data, Palaearctic hamsters fall into three distinct phylogenetic groups: Phodopits, Mesocricetus, and Cricetus-related species which evolved during the late Miocene about 7-12 MY ago. Surprisingly, the genus Phodopus, which was previously thought to have appeared during the Pleistocene, forms the oldest clade. The largest number of extant hamster genera is found in a group of Cricetus-related hamsters. The genus Cricetulus itself proved to be not truly monophyletic with Cricetulus migratorius appearing more closely related to Tscherskia, Cricetus, and Allocricetulus. We propose to place the species within a new monotypic genus. Molecular clock calculations are not always in line with the dating of fossil records. DNA based divergence time estimates as well as taxonomic relationships demand a reevaluation of morphological characters previously used to identify fossils and extant hamsters. (c) 2006 Elsevier Inc. All rights reserved. [less ▲]

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See detailMolecular phylogeography of the common dormouse, Muscardinus avellanarius, in Europe
Mouton, Alice ULg; Grill, Andrea; Krystufek, Boris et al

Conference (2009, September)

The common dormouse, Muscardinus avellanarius is naturally rare in Europe. Recently, natural scarcity has been exacerbated by anthropogenic environmental damages. This specie is now regarded as rare or ... [more ▼]

The common dormouse, Muscardinus avellanarius is naturally rare in Europe. Recently, natural scarcity has been exacerbated by anthropogenic environmental damages. This specie is now regarded as rare or endangered, attracting conservation related research and active habitat management to assist its survival. Furthermore, obligatory thermophilous species are probably more affected by cold phases than cold-tolerant organisms. The evolutionary history of the common dormouse would therefore show significant differences compared to other species. To better understand the genetic variation and structure of this species, we developed a phylogeographic study based on sequences of 700 base pairs of the mitochondrial DNA cytochrome b gene from 102 specimens collected throughout its palearctic distribution. The obtained dataset was analysed using different phylogenetic reconstruction as well as other methods adapted to phylogeography. The analysis of the mtDNA reveals a number of surprises. The results show two major genetic lineages: the first corresponding to the Western and Italian populations; the second comprising the Balkan and the Northern populations. Furthermore, the analyses tend to propose a scenario of multiple refugia in the Italian peninsula. This pattern of ‘refugia within-refugia’ has important implications in interpreting the distribution patterns of genetic diversity within the southern peninsulas. The Calabria region and Sicily could be “hot spots” of intraspecific biodiversity of Muscardinus avellanarius. These regions would thus deserve attention when deciding Evolutionary Significant Units (“ESU) for conservation of this species. [less ▲]

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See detailMolecular Polymorphisms in Tunisian Pomegranate (Punica granatum L.) as Revealed by RAPD Fingerprints
Hasnaoui, Nejib ULg; Mars, Messaoud; Chibani, Jemni et al

in Diversity (2010), 2(1), 107-114

The genetic diversity among Tunisian pomegranate cultivars has been investigated. Using universal primers, the random amplified polymorphic DNA (RAPD) method was used to generate banding profiles from a ... [more ▼]

The genetic diversity among Tunisian pomegranate cultivars has been investigated. Using universal primers, the random amplified polymorphic DNA (RAPD) method was used to generate banding profiles from a set of twelve cultivars. Data was then computed with appropriate programs to construct a dendrogram illustrating the relationships between the studied cultivars. Our data proved the efficiency of the designed method to examine the DNA polymorphism in this crop since the tested primers are characterized by a collective resolving power of 12.83. In addition, the cluster analysis has exhibited a parsimonious tree branching independent from the geographic origin of the cultivars. In spite of the relatively low number of primers and cultivars, RAPD constitutes an appropriate procedure to assess the genetic diversity and to survey the phylogenetic relationships in this crop. [less ▲]

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See detailMolecular profiling of 16K PRL treated tumours by an antibody-array approach
Cornet, Anne ULg; Nguyen, Ngoc-Quynh-Nhu ULg; Lion, Michelle ULg et al

Poster (2006, May)

Tumour development is often accompanied by the formation of new blood vessels from existing vasculature. This new intratumoral blood network is driven by the process of angiogenesis, providing the ... [more ▼]

Tumour development is often accompanied by the formation of new blood vessels from existing vasculature. This new intratumoral blood network is driven by the process of angiogenesis, providing the essential nutrients for growth, invasion and metastasis. At the present time, it is well established that inhibitors of angiogenesis prevent the growth and progression of tumours, offering a new therapeutic approach for treatment of cancer. Several studies have already showed that the N-terminal fragment of the human prolactin, 16k-Da PRL, has a potent anti-angiogenic activity. Recently, research groups have demonstrated that the 16k-Da PRL inhibits tumour development in animal models. Despite the fact that several studies leading to improve our knowledge of 16k-Da PRL action were performed, little is known about its role played to prevent tumour growth in vivo. In this study, we first tested the ability of the 16k-Da PRL to inhibit the growth of established HCT116 tumours in nude mice, using an adenovirus approach. As expected, we found that the tumour progression was tightly reduced by the expression of the 16k-Da PRL into the tumours. This antitumour activity was also associated with a slight tumour vascularization. To discover biomarkers that contribute in 16k-Da PRL tumour suppressive effects, we used one of the most powerful multiplexed detection techonologies: the antibody-microarray proposed by Eurogentec. These protein-chips allow to identify multiple proteins from small amounts of samples within a single experiment. Three independent sets of antibody array from samples of 16k-Da PRL treated tumours and controls were analysed. Experimental and analysis optimisations were applied to ensure the correct interpretation of the fluorescent signals from the antibody arrays. In addition, significant results were confirmed by Western blot analysis. Our study allowed to identify several proteins which could be implicated in the tumour dormancy induced by 16k-Da PRL treatment. Additional analysis will provide important biological information for discovering of the new cancer biomarkers and their relationship with the 16k-Da PRL effects on cancer development. [less ▲]

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See detailMolecular properties of cinchona alkaloids: a theoretical approach
Oleksyn, Barbara; Suszko-Purzycka, Alina; Dive, Georges ULg et al

in Journal of Pharmaceutical Sciences (1992), 81(2), 122-127

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See detailMolecular Reclassification of Crohn's Disease by Cluster Analysis of Genetic Variants
Cleynen, Isabelle; Mahachie John, Jestinah ULg; Henckaerts, Liesbet et al

in PLoS ONE (2010), 5(9), 12952

<sec> <title>Background</title> <p>Crohn's Disease (CD) has a heterogeneous presentation, and is typically classified according to extent and location of disease. The genetic susceptibility to CD is well ... [more ▼]

<sec> <title>Background</title> <p>Crohn's Disease (CD) has a heterogeneous presentation, and is typically classified according to extent and location of disease. The genetic susceptibility to CD is well known and genome-wide association scans (GWAS) and meta-analysis thereof have identified over 30 susceptibility loci. Except for the association between ileal CD and <italic>NOD2</italic> mutations, efforts in trying to link CD genetics to clinical subphenotypes have not been very successful. We hypothesized that the large number of confirmed genetic variants enables (better) classification of CD patients.</p> </sec><sec> <title>Methodology/Principal Findings</title> <p>To look for genetic-based subgroups, genotyping results of 46 SNPs identified from CD GWAS were analyzed by Latent Class Analysis (LCA) in CD patients and in healthy controls. Six genetic-based subgroups were identified in CD patients, which were significantly different from the five subgroups found in healthy controls. The identified CD-specific clusters are therefore likely to contribute to disease behavior. We then looked at whether we could relate the genetic-based subgroups to the currently used clinical parameters. Although modest differences in prevalence of disease location and behavior could be observed among the CD clusters, Random Forest analysis showed that patients could not be allocated to one of the 6 genetic-based subgroups based on the typically used clinical parameters alone. This points to a poor relationship between the genetic-based subgroups and the used clinical subphenotypes.</p> </sec><sec> <title>Conclusions/Significance</title> <p>This approach serves as a first step to reclassify Crohn's disease. The used technique can be applied to other common complex diseases as well, and will help to complete patient characterization, in order to evolve towards personalized medicine.</p> </sec> [less ▲]

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