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Dual inhibition of cyclooxygenase-2 (COX-2) and 5-lipoxygenase (5-LOX) as a new strategy to provide safer non-steroidal anti-inflammatory drugs.
In this review, COX and 5-LOX pathways are first described in order to highlight the therapeutic interest of designing such compounds. Expand
Differential scanning calorimetry in life science: thermodynamics, stability, molecular recognition and application in drug design.
DSC is much used for the study of the stability and the folding of biomolecules, but it can also be applied in order to understand biomolecular interactions and can thus be an interesting technique in the process of drug design. Expand
Enhanced Efficiency of Organic Dye-Sensitized Solar Cells: Triphenylamine Derivatives
A general TDDFT procedure has been set up that accurately evaluates the UV/vis absorption spectra of a series of new conjugated metal-free organic dyes based on the triphenylamine (TPA) moiety, which… Expand
Refolding SDS-denatured proteins by the addition of amphipathic cosolvents.
It is shown that certain amphipathic cosolvents such as 2-methyl-2,4-pentanediol (MPD) can protect proteins from SDS denaturation, and in several cases can refold proteins from the SDS-denatured state. Expand
Structural approach for COX-2 inhibition.
The drug design processes used to understand their binding mode and the origin of selectivity of these compounds are described and several families of such inhibitors were reported in literature. Expand
Combined effect of stacking and solvation on the spontaneous mutation in DNA.
- J. P. Cerón-Carrasco, J. Zuñiga, A. Requena, E. Perpète, C. Michaux, D. Jacquemin
- Chemistry, Medicine
- Physical chemistry chemical physics : PCCP
- 4 August 2011
The double spontaneous mutation has been studied with hybrid theoretical tools in a DNA-embedded guanine-cytosine model accounting for the impact of the first hydration shell, finding the combination of the neighboring base pairs and surrounding water molecules plays a crucial role in the double proton transfer. Expand
First crystal structure of an endo-inulinase, INU2, from Aspergillus ficuum: discovery of an extra-pocket in the catalytic domain responsible for its endo-activity.
The structural analysis and comparison with other GH32 enzymes reveal the presence of an extra pocket in the INU2 catalytic site, formed by two loops and the conserved motif W-M(I)-N-D(E)-P-N-G, which would explain the endo-activity of the enzyme, the critical role of Trp40 and particularly the cleavage at the third unit of the inulin(-like) substrates. Expand
Synthesis and activity of a new methoxytetrahydropyran derivative as dual cyclooxygenase-2/5-lipoxygenase inhibitor.
- S. Barbey, L. Goossens, +9 authors J. Hénichart
- Medicine, Chemistry
- Bioorganic & medicinal chemistry letters
- 11 March 2002
A surprisingly potent effect of a 5-LO pharmacophoric group on the COX-2 inhibition is presented as well as pharmacological in vitro and in vivo results. Expand
Structure and X-ray conformation of pseudodesmins A and B, two new cyclic lipodepsipeptides from Pseudomonas bacteria
Abstract Two new cyclic lipodepsipeptides named pseudodesmins A and B have been isolated from Pseudomonas bacteria collected from the mucus layer in the skin of the black belly salamander. Both… Expand
Crystal structure of a cold‐adapted class C β‐lactamase
Structural comparison of the psychrophilic and mesophilic β‐lactamases shows that electrostatics seems to play a major role in low‐temperature adaptation, with a lower total number of ionic interactions for cold enzymes. Expand