Search results for "Small molecule"

Design of novel small molecule base-pair recognizers of toxic CUG RNA transcripts characteristics of DM1.

2020

Graphical abstract

Identification and optimization of small molecule antagonists of vasoactive intestinal peptide receptor-1 (VIPR1).

2012

Identification, synthesis and structure-activity relationship of small-molecule VIPR1 antagonists encompassing two chemical series are described.

A Molecular Dynamics-Shared Pharmacophore Approach to Boost Early-Enrichment Virtual Screening: A Case Study on Peroxisome Proliferator-Activated Rec…

2016

Molecular dynamics (MD) simulations can be used, prior to virtual screening, to add flexibility to proteins and study them in a dynamic way. Furthermore, the use of multiple crystal structures of the same protein containing different co-crystallized ligands can help elucidate the role of the ligand on a protein's active conformation, and then explore the most common interactions between small molecules and the receptor. In this work, we evaluated the contribution of the combined use of MD on crystal structures containing the same protein but different ligands to examine the crucial ligand-protein interactions within the complexes. The study was carried out on peroxisome proliferator-activat…

Towards purely inorganic clusters in medicine: Biocompatible divalent cations as counterions of cobaltabis(dicarbollide) and its iodinated derivatives

2021

Monovalent cations, Cs+, and alkylammonium ([NR4]+) salts have traditionally been used to precipitate the anions of boranes, carborane and metallocarborane clusters. In contrast, in the body and in living organisms in general, divalent cations have a special relevance. In this work, we isolate for the first time the cobaltabis(dicarbollide) salts of the biocompatible divalent cations of biological importance that can have application both in biology and in materials science. The preparation of Ca2+, Mg2+ and Fe2+ salts of anionic iodinated nido-[C2B9H12]− and cobaltabis(dicarbollide) as well as its di-, tetra- and octa-iodinated derivatives are reported. Ca2+ and Mg2+ are hard Lewis acids a…

High-resolution infrared spectroscopy and analysis of the v2=v4 bending dyad and v3 stretching fundamental of ruthenium tetroxide

2017

International audience; RuO4 is a heavy tetrahedral molecule which has practical uses for several industrial fields. Due to its chemicaltoxicity and the radiological impact of its 103 and 106 isotopologues, the possible remote sensing of this compound in theatmosphere has renewed interest in its spectroscopic properties. We investigate here for the first time at high resolutionthe bending dyad region in the far IR and the line intensities in the 3 stretching region. Firstly, new high resolutionFTIR spectra of the bending modes region in the far infrared have been recorded at room temperature, using a speciallyconstructed cell and an isotopically pure sample of 102RuO4. New assignments and e…

Pharmacogenomic identification of small molecules for lineage specific manipulation of subventricular zone germinal activity

2017

Strategies for promoting neural regeneration are hindered by the difficulty of manipulating desired neural fates in the brain without complex genetic methods. The subventricular zone (SVZ) is the largest germinal zone of the forebrain and is responsible for the lifelong generation of interneuron subtypes and oligodendrocytes. Here, we have performed a bioinformatics analysis of the transcriptome of dorsal and lateral SVZ in early postnatal mice, including neural stem cells (NSCs) and their immediate progenies, which generate distinct neural lineages. We identified multiple signaling pathways that trigger distinct downstream transcriptional networks to regulate the diversity of neural cells …

Harnessing nature's insights: synthetic small molecules with peroxidase-mimicking DNAzyme properties.

2011

International audience

Natural Products as Inhibitors of Epidermal Growth Factor Receptor

2011

Quantification of HSP27 and HSP70 Molecular Chaperone Activities

2011

Stress-inducible heat-shock proteins (HSPs, like HSP70 and HSP27) are molecular chaperones that -protect cells from stress damage by keeping cellular proteins in a folding competent state and preventing them from irreversible aggregation. HSP27 and HSP70 chaperone activities are useful indicators to test chemical products and physical stress impact on protein denaturation, to select HSP inhibitors, or to -determine the implication of the chaperone function in other HSP activities, such as apoptosis. We have developed two simple and fast chaperone activity tests for HSP27 and HSP70 that we initially set up to test the effect of potential HSP inhibitors obtained after screening of chemical an…

Overcoming of P-glycoprotein-mediated multidrug resistance of tumors in vivo by drug combinations

2014

Summary Inhibition of P-glycoprotein represents an attractive possibility to modulate resistance of cancer cells to anticancer drugs. One major strategy to overcome P-glycoprotein-mediated multidrug resistance (MDR) of tumors is to increase intracellular concentrations of anticancer drugs. This can be achieved by blocking of P-glycoprotein-mediated drug efflux using synthetic or natural small molecules or monoclonal antibodies, which bind to various parts of the efflux channel. Another possibility to increase intracellular drug concentrations can be reached by nanoparticles. A further major strategy to overcome MDR involves the downregulation of P-glycoprotein expression either by therapeut…